USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 SER OG : rot -30:sc= -0.056 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -151:sc= 1.25 (180deg=0.686) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 1.02 K(o=2.4,f=-4.5!) USER MOD Set 2.2: A 61 THR OG1 : rot -167:sc= 1.34 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0344) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.336 (180deg=-0.0446) USER MOD Single : A 13 MET CE :methyl -172:sc= -0.803 (180deg=-1.1) USER MOD Single : A 14 THR OG1 : rot -24:sc= 0.539 USER MOD Single : A 17 SER OG : rot 180:sc= 0.012 USER MOD Single : A 20 HIS : no HD1:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 127:sc= 1.33 (180deg=0.63) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 120:sc= 0 USER MOD Single : A 27 THR OG1 : rot -36:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 1.09 (180deg=-0.732) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 160:sc= -0.49 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.1) USER MOD Single : A 45 HIS : no HE2:sc= -0.873 X(o=-0.87,f=-0.79) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= 0.806 (180deg=-0.729) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.39) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.118 USER MOD Single : A 73 LYS NZ :NH3+ -145:sc= 0.117 (180deg=-1.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.015 -19.935 -6.016 1.00 6.26 N ATOM 2 CA MET A 1 -8.311 -18.569 -6.482 1.00 5.40 C ATOM 3 C MET A 1 -7.029 -17.763 -6.300 1.00 4.21 C ATOM 4 O MET A 1 -6.033 -18.369 -5.908 1.00 4.24 O ATOM 5 CB MET A 1 -9.501 -17.957 -5.725 1.00 5.83 C ATOM 6 CG MET A 1 -10.799 -18.754 -5.924 1.00 7.17 C ATOM 7 SD MET A 1 -12.304 -17.956 -5.303 1.00 8.57 S ATOM 8 CE MET A 1 -11.939 -17.840 -3.538 1.00 9.22 C ATOM 0 H1 MET A 1 -8.223 -20.614 -6.776 1.00 6.26 H new ATOM 0 H2 MET A 1 -7.010 -20.003 -5.756 1.00 6.26 H new ATOM 0 H3 MET A 1 -8.603 -20.154 -5.186 1.00 6.26 H new ATOM 0 HA MET A 1 -8.613 -18.568 -7.529 1.00 5.40 H new ATOM 0 HB2 MET A 1 -9.266 -17.912 -4.662 1.00 5.83 H new ATOM 0 HB3 MET A 1 -9.653 -16.932 -6.062 1.00 5.83 H new ATOM 0 HG2 MET A 1 -10.925 -18.951 -6.989 1.00 7.17 H new ATOM 0 HG3 MET A 1 -10.691 -19.721 -5.432 1.00 7.17 H new ATOM 0 HE1 MET A 1 -12.798 -17.418 -3.016 1.00 9.22 H new ATOM 0 HE2 MET A 1 -11.728 -18.834 -3.144 1.00 9.22 H new ATOM 0 HE3 MET A 1 -11.071 -17.198 -3.387 1.00 9.22 H new ATOM 20 N GLY A 2 -7.050 -16.461 -6.586 1.00 4.06 N ATOM 21 CA GLY A 2 -5.911 -15.570 -6.434 1.00 3.77 C ATOM 22 C GLY A 2 -6.297 -14.464 -5.461 1.00 3.25 C ATOM 23 O GLY A 2 -7.219 -13.700 -5.742 1.00 4.03 O ATOM 0 H GLY A 2 -7.883 -15.990 -6.938 1.00 4.06 H new ATOM 0 HA2 GLY A 2 -5.046 -16.119 -6.061 1.00 3.77 H new ATOM 0 HA3 GLY A 2 -5.629 -15.147 -7.398 1.00 3.77 H new ATOM 27 N ASP A 3 -5.642 -14.422 -4.297 1.00 2.52 N ATOM 28 CA ASP A 3 -5.832 -13.409 -3.270 1.00 2.11 C ATOM 29 C ASP A 3 -4.577 -13.419 -2.394 1.00 1.45 C ATOM 30 O ASP A 3 -3.781 -14.357 -2.470 1.00 2.32 O ATOM 31 CB ASP A 3 -7.112 -13.693 -2.457 1.00 2.91 C ATOM 32 CG ASP A 3 -7.508 -12.550 -1.530 1.00 3.39 C ATOM 33 OD1 ASP A 3 -6.851 -11.486 -1.550 1.00 4.06 O ATOM 34 OD2 ASP A 3 -8.493 -12.693 -0.773 1.00 4.24 O ATOM 0 H ASP A 3 -4.942 -15.119 -4.041 1.00 2.52 H new ATOM 0 HA ASP A 3 -5.967 -12.420 -3.709 1.00 2.11 H new ATOM 0 HB2 ASP A 3 -7.933 -13.894 -3.145 1.00 2.91 H new ATOM 0 HB3 ASP A 3 -6.964 -14.596 -1.865 1.00 2.91 H new ATOM 39 N GLY A 4 -4.404 -12.385 -1.582 1.00 0.89 N ATOM 40 CA GLY A 4 -3.272 -12.150 -0.715 1.00 1.16 C ATOM 41 C GLY A 4 -3.505 -10.817 -0.010 1.00 0.98 C ATOM 42 O GLY A 4 -4.238 -9.967 -0.521 1.00 1.33 O ATOM 0 H GLY A 4 -5.100 -11.643 -1.512 1.00 0.89 H new ATOM 0 HA2 GLY A 4 -3.172 -12.956 0.012 1.00 1.16 H new ATOM 0 HA3 GLY A 4 -2.347 -12.123 -1.291 1.00 1.16 H new ATOM 46 N VAL A 5 -2.907 -10.642 1.172 1.00 0.90 N ATOM 47 CA VAL A 5 -3.062 -9.462 2.013 1.00 0.82 C ATOM 48 C VAL A 5 -1.709 -8.768 2.180 1.00 0.91 C ATOM 49 O VAL A 5 -0.939 -9.071 3.091 1.00 1.41 O ATOM 50 CB VAL A 5 -3.759 -9.846 3.335 1.00 0.99 C ATOM 51 CG1 VAL A 5 -3.134 -11.036 4.078 1.00 1.98 C ATOM 52 CG2 VAL A 5 -3.853 -8.642 4.277 1.00 2.25 C ATOM 0 H VAL A 5 -2.284 -11.341 1.578 1.00 0.90 H new ATOM 0 HA VAL A 5 -3.716 -8.728 1.541 1.00 0.82 H new ATOM 0 HB VAL A 5 -4.755 -10.171 3.033 1.00 0.99 H new ATOM 0 HG11 VAL A 5 -3.694 -11.228 4.993 1.00 1.98 H new ATOM 0 HG12 VAL A 5 -3.166 -11.920 3.441 1.00 1.98 H new ATOM 0 HG13 VAL A 5 -2.098 -10.806 4.328 1.00 1.98 H new ATOM 0 HG21 VAL A 5 -4.348 -8.941 5.201 1.00 2.25 H new ATOM 0 HG22 VAL A 5 -2.851 -8.278 4.504 1.00 2.25 H new ATOM 0 HG23 VAL A 5 -4.427 -7.849 3.798 1.00 2.25 H new ATOM 62 N LEU A 6 -1.411 -7.813 1.298 1.00 1.10 N ATOM 63 CA LEU A 6 -0.208 -7.009 1.395 1.00 1.42 C ATOM 64 C LEU A 6 -0.477 -5.913 2.422 1.00 1.19 C ATOM 65 O LEU A 6 -0.805 -4.776 2.079 1.00 1.30 O ATOM 66 CB LEU A 6 0.208 -6.486 0.010 1.00 1.69 C ATOM 67 CG LEU A 6 1.727 -6.411 -0.195 1.00 1.99 C ATOM 68 CD1 LEU A 6 2.392 -5.423 0.763 1.00 2.74 C ATOM 69 CD2 LEU A 6 2.395 -7.790 -0.123 1.00 2.21 C ATOM 0 H LEU A 6 -2.001 -7.581 0.499 1.00 1.10 H new ATOM 0 HA LEU A 6 0.646 -7.594 1.737 1.00 1.42 H new ATOM 0 HB2 LEU A 6 -0.221 -7.133 -0.756 1.00 1.69 H new ATOM 0 HB3 LEU A 6 -0.218 -5.493 -0.136 1.00 1.69 H new ATOM 0 HG LEU A 6 1.876 -6.033 -1.206 1.00 1.99 H new ATOM 0 HD11 LEU A 6 3.466 -5.405 0.579 1.00 2.74 H new ATOM 0 HD12 LEU A 6 1.980 -4.427 0.602 1.00 2.74 H new ATOM 0 HD13 LEU A 6 2.205 -5.731 1.792 1.00 2.74 H new ATOM 0 HD21 LEU A 6 3.469 -7.682 -0.274 1.00 2.21 H new ATOM 0 HD22 LEU A 6 2.209 -8.234 0.855 1.00 2.21 H new ATOM 0 HD23 LEU A 6 1.982 -8.435 -0.899 1.00 2.21 H new ATOM 81 N GLU A 7 -0.381 -6.296 3.697 1.00 1.11 N ATOM 82 CA GLU A 7 -0.477 -5.391 4.826 1.00 0.96 C ATOM 83 C GLU A 7 0.919 -5.103 5.372 1.00 0.87 C ATOM 84 O GLU A 7 1.611 -6.019 5.833 1.00 1.29 O ATOM 85 CB GLU A 7 -1.492 -5.911 5.849 1.00 1.35 C ATOM 86 CG GLU A 7 -1.678 -4.921 7.009 1.00 1.22 C ATOM 87 CD GLU A 7 -0.699 -5.230 8.120 1.00 2.54 C ATOM 88 OE1 GLU A 7 -0.885 -6.283 8.765 1.00 3.35 O ATOM 89 OE2 GLU A 7 0.338 -4.545 8.208 1.00 3.85 O ATOM 0 H GLU A 7 -0.231 -7.267 3.971 1.00 1.11 H new ATOM 0 HA GLU A 7 -0.874 -4.424 4.518 1.00 0.96 H new ATOM 0 HB2 GLU A 7 -2.450 -6.082 5.358 1.00 1.35 H new ATOM 0 HB3 GLU A 7 -1.157 -6.872 6.239 1.00 1.35 H new ATOM 0 HG2 GLU A 7 -1.527 -3.901 6.654 1.00 1.22 H new ATOM 0 HG3 GLU A 7 -2.699 -4.980 7.387 1.00 1.22 H new ATOM 96 N LEU A 8 1.325 -3.833 5.277 1.00 0.64 N ATOM 97 CA LEU A 8 2.611 -3.336 5.730 1.00 0.80 C ATOM 98 C LEU A 8 2.447 -1.977 6.416 1.00 0.68 C ATOM 99 O LEU A 8 1.411 -1.322 6.281 1.00 0.68 O ATOM 100 CB LEU A 8 3.612 -3.298 4.558 1.00 1.13 C ATOM 101 CG LEU A 8 3.087 -2.826 3.190 1.00 0.86 C ATOM 102 CD1 LEU A 8 2.611 -1.374 3.209 1.00 1.73 C ATOM 103 CD2 LEU A 8 4.219 -2.943 2.162 1.00 1.98 C ATOM 0 H LEU A 8 0.741 -3.104 4.867 1.00 0.64 H new ATOM 0 HA LEU A 8 3.022 -4.017 6.476 1.00 0.80 H new ATOM 0 HB2 LEU A 8 4.439 -2.648 4.843 1.00 1.13 H new ATOM 0 HB3 LEU A 8 4.022 -4.300 4.433 1.00 1.13 H new ATOM 0 HG LEU A 8 2.235 -3.456 2.934 1.00 0.86 H new ATOM 0 HD11 LEU A 8 2.252 -1.096 2.218 1.00 1.73 H new ATOM 0 HD12 LEU A 8 1.802 -1.266 3.932 1.00 1.73 H new ATOM 0 HD13 LEU A 8 3.439 -0.723 3.491 1.00 1.73 H new ATOM 0 HD21 LEU A 8 3.861 -2.612 1.187 1.00 1.98 H new ATOM 0 HD22 LEU A 8 5.058 -2.319 2.472 1.00 1.98 H new ATOM 0 HD23 LEU A 8 4.544 -3.981 2.095 1.00 1.98 H new ATOM 115 N VAL A 9 3.498 -1.545 7.121 1.00 0.65 N ATOM 116 CA VAL A 9 3.591 -0.224 7.724 1.00 0.66 C ATOM 117 C VAL A 9 3.923 0.748 6.593 1.00 0.63 C ATOM 118 O VAL A 9 4.674 0.376 5.690 1.00 0.78 O ATOM 119 CB VAL A 9 4.665 -0.219 8.845 1.00 0.68 C ATOM 120 CG1 VAL A 9 5.791 0.811 8.667 1.00 0.93 C ATOM 121 CG2 VAL A 9 4.027 0.020 10.219 1.00 0.73 C ATOM 0 H VAL A 9 4.323 -2.122 7.288 1.00 0.65 H new ATOM 0 HA VAL A 9 2.657 0.073 8.202 1.00 0.66 H new ATOM 0 HB VAL A 9 5.116 -1.209 8.775 1.00 0.68 H new ATOM 0 HG11 VAL A 9 6.489 0.735 9.501 1.00 0.93 H new ATOM 0 HG12 VAL A 9 6.318 0.616 7.733 1.00 0.93 H new ATOM 0 HG13 VAL A 9 5.366 1.814 8.641 1.00 0.93 H new ATOM 0 HG21 VAL A 9 4.802 0.019 10.985 1.00 0.73 H new ATOM 0 HG22 VAL A 9 3.517 0.983 10.221 1.00 0.73 H new ATOM 0 HG23 VAL A 9 3.308 -0.772 10.429 1.00 0.73 H new ATOM 131 N VAL A 10 3.377 1.969 6.632 1.00 0.68 N ATOM 132 CA VAL A 10 3.636 3.044 5.706 1.00 0.71 C ATOM 133 C VAL A 10 3.800 4.327 6.529 1.00 0.81 C ATOM 134 O VAL A 10 2.981 4.617 7.406 1.00 1.12 O ATOM 135 CB VAL A 10 2.485 3.129 4.699 1.00 0.74 C ATOM 136 CG1 VAL A 10 2.744 4.285 3.741 1.00 1.58 C ATOM 137 CG2 VAL A 10 2.367 1.847 3.873 1.00 1.89 C ATOM 0 H VAL A 10 2.708 2.234 7.355 1.00 0.68 H new ATOM 0 HA VAL A 10 4.547 2.881 5.130 1.00 0.71 H new ATOM 0 HB VAL A 10 1.561 3.277 5.258 1.00 0.74 H new ATOM 0 HG11 VAL A 10 1.928 4.351 3.021 1.00 1.58 H new ATOM 0 HG12 VAL A 10 2.808 5.216 4.304 1.00 1.58 H new ATOM 0 HG13 VAL A 10 3.682 4.116 3.212 1.00 1.58 H new ATOM 0 HG21 VAL A 10 1.540 1.943 3.169 1.00 1.89 H new ATOM 0 HG22 VAL A 10 3.294 1.681 3.324 1.00 1.89 H new ATOM 0 HG23 VAL A 10 2.183 1.002 4.537 1.00 1.89 H new ATOM 147 N ARG A 11 4.873 5.075 6.269 1.00 0.81 N ATOM 148 CA ARG A 11 5.267 6.267 7.009 1.00 0.92 C ATOM 149 C ARG A 11 5.584 7.380 6.009 1.00 0.84 C ATOM 150 O ARG A 11 5.905 7.112 4.852 1.00 1.03 O ATOM 151 CB ARG A 11 6.516 5.956 7.840 1.00 1.05 C ATOM 152 CG ARG A 11 6.297 4.945 8.972 1.00 1.87 C ATOM 153 CD ARG A 11 7.649 4.273 9.237 1.00 1.93 C ATOM 154 NE ARG A 11 7.629 3.378 10.399 1.00 3.27 N ATOM 155 CZ ARG A 11 8.657 2.579 10.735 1.00 4.42 C ATOM 156 NH1 ARG A 11 9.776 2.563 10.005 1.00 4.59 N ATOM 157 NH2 ARG A 11 8.556 1.790 11.811 1.00 5.92 N ATOM 0 H ARG A 11 5.514 4.856 5.507 1.00 0.81 H new ATOM 0 HA ARG A 11 4.461 6.581 7.672 1.00 0.92 H new ATOM 0 HB2 ARG A 11 7.292 5.575 7.176 1.00 1.05 H new ATOM 0 HB3 ARG A 11 6.891 6.885 8.269 1.00 1.05 H new ATOM 0 HG2 ARG A 11 5.931 5.444 9.870 1.00 1.87 H new ATOM 0 HG3 ARG A 11 5.547 4.206 8.690 1.00 1.87 H new ATOM 0 HD2 ARG A 11 7.945 3.706 8.354 1.00 1.93 H new ATOM 0 HD3 ARG A 11 8.406 5.042 9.391 1.00 1.93 H new ATOM 0 HE ARG A 11 6.792 3.361 10.982 1.00 3.27 H new ATOM 0 HH11 ARG A 11 9.857 3.161 9.183 1.00 4.59 H new ATOM 0 HH12 ARG A 11 10.549 1.953 10.270 1.00 4.59 H new ATOM 0 HH21 ARG A 11 7.703 1.797 12.370 1.00 5.92 H new ATOM 0 HH22 ARG A 11 9.332 1.181 12.072 1.00 5.92 H new ATOM 171 N GLY A 12 5.490 8.635 6.453 1.00 0.94 N ATOM 172 CA GLY A 12 5.805 9.797 5.631 1.00 0.92 C ATOM 173 C GLY A 12 4.562 10.392 4.969 1.00 0.76 C ATOM 174 O GLY A 12 4.556 11.577 4.641 1.00 1.10 O ATOM 0 H GLY A 12 5.191 8.871 7.399 1.00 0.94 H new ATOM 0 HA2 GLY A 12 6.285 10.557 6.248 1.00 0.92 H new ATOM 0 HA3 GLY A 12 6.523 9.512 4.862 1.00 0.92 H new ATOM 178 N MET A 13 3.507 9.592 4.771 1.00 0.78 N ATOM 179 CA MET A 13 2.262 10.059 4.173 1.00 0.98 C ATOM 180 C MET A 13 1.508 10.963 5.157 1.00 0.93 C ATOM 181 O MET A 13 0.565 10.559 5.831 1.00 1.43 O ATOM 182 CB MET A 13 1.486 8.882 3.557 1.00 1.61 C ATOM 183 CG MET A 13 0.629 7.982 4.449 1.00 0.90 C ATOM 184 SD MET A 13 1.420 7.120 5.823 1.00 2.23 S ATOM 185 CE MET A 13 0.274 5.728 5.870 1.00 1.35 C ATOM 0 H MET A 13 3.498 8.604 5.023 1.00 0.78 H new ATOM 0 HA MET A 13 2.448 10.710 3.319 1.00 0.98 H new ATOM 0 HB2 MET A 13 0.833 9.292 2.787 1.00 1.61 H new ATOM 0 HB3 MET A 13 2.211 8.243 3.053 1.00 1.61 H new ATOM 0 HG2 MET A 13 -0.175 8.593 4.860 1.00 0.90 H new ATOM 0 HG3 MET A 13 0.164 7.231 3.811 1.00 0.90 H new ATOM 0 HE1 MET A 13 0.480 5.116 6.748 1.00 1.35 H new ATOM 0 HE2 MET A 13 -0.749 6.101 5.919 1.00 1.35 H new ATOM 0 HE3 MET A 13 0.397 5.125 4.971 1.00 1.35 H new ATOM 195 N THR A 14 1.995 12.196 5.283 1.00 0.70 N ATOM 196 CA THR A 14 1.758 13.040 6.444 1.00 0.73 C ATOM 197 C THR A 14 0.326 13.561 6.596 1.00 0.74 C ATOM 198 O THR A 14 0.031 14.117 7.655 1.00 0.98 O ATOM 199 CB THR A 14 2.783 14.186 6.473 1.00 0.86 C ATOM 200 OG1 THR A 14 2.707 14.875 7.706 1.00 1.60 O ATOM 201 CG2 THR A 14 2.590 15.183 5.323 1.00 1.08 C ATOM 0 H THR A 14 2.573 12.640 4.569 1.00 0.70 H new ATOM 0 HA THR A 14 1.893 12.395 7.312 1.00 0.73 H new ATOM 0 HB THR A 14 3.766 13.731 6.353 1.00 0.86 H new ATOM 0 HG1 THR A 14 1.818 14.746 8.098 1.00 1.60 H new ATOM 0 HG21 THR A 14 3.341 15.970 5.394 1.00 1.08 H new ATOM 0 HG22 THR A 14 2.697 14.664 4.370 1.00 1.08 H new ATOM 0 HG23 THR A 14 1.595 15.624 5.387 1.00 1.08 H new ATOM 209 N CYS A 15 -0.548 13.450 5.589 1.00 0.60 N ATOM 210 CA CYS A 15 -1.913 13.946 5.698 1.00 0.61 C ATOM 211 C CYS A 15 -2.828 13.231 4.708 1.00 0.57 C ATOM 212 O CYS A 15 -2.367 12.459 3.863 1.00 0.55 O ATOM 213 CB CYS A 15 -1.935 15.467 5.490 1.00 0.64 C ATOM 214 SG CYS A 15 -1.615 16.004 3.793 1.00 0.73 S ATOM 0 H CYS A 15 -0.328 13.020 4.691 1.00 0.60 H new ATOM 0 HA CYS A 15 -2.290 13.735 6.699 1.00 0.61 H new ATOM 0 HB2 CYS A 15 -2.908 15.848 5.800 1.00 0.64 H new ATOM 0 HB3 CYS A 15 -1.192 15.920 6.146 1.00 0.64 H new ATOM 219 N ALA A 16 -4.128 13.520 4.808 1.00 0.61 N ATOM 220 CA ALA A 16 -5.167 12.991 3.935 1.00 0.65 C ATOM 221 C ALA A 16 -4.757 13.069 2.463 1.00 0.60 C ATOM 222 O ALA A 16 -4.938 12.107 1.719 1.00 0.63 O ATOM 223 CB ALA A 16 -6.474 13.752 4.174 1.00 0.74 C ATOM 0 H ALA A 16 -4.493 14.149 5.523 1.00 0.61 H new ATOM 0 HA ALA A 16 -5.315 11.938 4.174 1.00 0.65 H new ATOM 0 HB1 ALA A 16 -7.251 13.355 3.520 1.00 0.74 H new ATOM 0 HB2 ALA A 16 -6.779 13.633 5.214 1.00 0.74 H new ATOM 0 HB3 ALA A 16 -6.324 14.810 3.959 1.00 0.74 H new ATOM 229 N SER A 17 -4.195 14.210 2.051 1.00 0.57 N ATOM 230 CA SER A 17 -3.724 14.428 0.695 1.00 0.59 C ATOM 231 C SER A 17 -2.677 13.389 0.281 1.00 0.59 C ATOM 232 O SER A 17 -2.668 12.961 -0.870 1.00 0.73 O ATOM 233 CB SER A 17 -3.187 15.854 0.565 1.00 0.67 C ATOM 234 OG SER A 17 -4.132 16.753 1.117 1.00 1.50 O ATOM 0 H SER A 17 -4.056 15.013 2.664 1.00 0.57 H new ATOM 0 HA SER A 17 -4.564 14.305 0.011 1.00 0.59 H new ATOM 0 HB2 SER A 17 -2.232 15.946 1.083 1.00 0.67 H new ATOM 0 HB3 SER A 17 -3.006 16.094 -0.483 1.00 0.67 H new ATOM 0 HG SER A 17 -3.795 17.670 1.040 1.00 1.50 H new ATOM 240 N CYS A 18 -1.796 12.975 1.195 1.00 0.54 N ATOM 241 CA CYS A 18 -0.892 11.869 0.927 1.00 0.58 C ATOM 242 C CYS A 18 -1.663 10.546 0.904 1.00 0.56 C ATOM 243 O CYS A 18 -1.524 9.753 -0.026 1.00 0.63 O ATOM 244 CB CYS A 18 0.232 11.840 1.961 1.00 0.66 C ATOM 245 SG CYS A 18 1.230 13.344 2.098 1.00 0.78 S ATOM 0 H CYS A 18 -1.694 13.391 2.121 1.00 0.54 H new ATOM 0 HA CYS A 18 -0.440 12.010 -0.055 1.00 0.58 H new ATOM 0 HB2 CYS A 18 -0.205 11.629 2.937 1.00 0.66 H new ATOM 0 HB3 CYS A 18 0.896 11.009 1.723 1.00 0.66 H new ATOM 250 N VAL A 19 -2.468 10.296 1.938 1.00 0.56 N ATOM 251 CA VAL A 19 -3.190 9.036 2.090 1.00 0.63 C ATOM 252 C VAL A 19 -3.989 8.703 0.822 1.00 0.59 C ATOM 253 O VAL A 19 -3.810 7.629 0.245 1.00 0.57 O ATOM 254 CB VAL A 19 -4.070 9.070 3.354 1.00 0.70 C ATOM 255 CG1 VAL A 19 -4.930 7.809 3.497 1.00 0.90 C ATOM 256 CG2 VAL A 19 -3.204 9.169 4.618 1.00 0.79 C ATOM 0 H VAL A 19 -2.636 10.962 2.692 1.00 0.56 H new ATOM 0 HA VAL A 19 -2.469 8.229 2.222 1.00 0.63 H new ATOM 0 HB VAL A 19 -4.713 9.944 3.246 1.00 0.70 H new ATOM 0 HG11 VAL A 19 -5.532 7.880 4.403 1.00 0.90 H new ATOM 0 HG12 VAL A 19 -5.586 7.716 2.631 1.00 0.90 H new ATOM 0 HG13 VAL A 19 -4.284 6.933 3.559 1.00 0.90 H new ATOM 0 HG21 VAL A 19 -3.846 9.192 5.498 1.00 0.79 H new ATOM 0 HG22 VAL A 19 -2.542 8.305 4.674 1.00 0.79 H new ATOM 0 HG23 VAL A 19 -2.608 10.081 4.580 1.00 0.79 H new ATOM 266 N HIS A 20 -4.880 9.597 0.379 1.00 0.61 N ATOM 267 CA HIS A 20 -5.706 9.302 -0.789 1.00 0.68 C ATOM 268 C HIS A 20 -4.890 9.307 -2.088 1.00 0.66 C ATOM 269 O HIS A 20 -5.239 8.589 -3.024 1.00 0.73 O ATOM 270 CB HIS A 20 -6.993 10.142 -0.836 1.00 0.73 C ATOM 271 CG HIS A 20 -6.903 11.473 -1.535 1.00 0.70 C ATOM 272 ND1 HIS A 20 -7.839 12.000 -2.396 1.00 0.83 N ATOM 273 CD2 HIS A 20 -5.901 12.391 -1.410 1.00 0.75 C ATOM 274 CE1 HIS A 20 -7.402 13.211 -2.778 1.00 0.84 C ATOM 275 NE2 HIS A 20 -6.221 13.496 -2.203 1.00 0.86 N ATOM 0 H HIS A 20 -5.043 10.510 0.803 1.00 0.61 H new ATOM 0 HA HIS A 20 -6.061 8.277 -0.683 1.00 0.68 H new ATOM 0 HB2 HIS A 20 -7.768 9.552 -1.325 1.00 0.73 H new ATOM 0 HB3 HIS A 20 -7.324 10.316 0.188 1.00 0.73 H new ATOM 0 HD2 HIS A 20 -5.014 12.282 -0.803 1.00 0.75 H new ATOM 0 HE1 HIS A 20 -7.928 13.867 -3.456 1.00 0.84 H new ATOM 0 HE2 HIS A 20 -5.670 14.346 -2.321 1.00 0.86 H new ATOM 283 N LYS A 21 -3.794 10.076 -2.152 1.00 0.64 N ATOM 284 CA LYS A 21 -2.848 10.005 -3.261 1.00 0.66 C ATOM 285 C LYS A 21 -2.321 8.572 -3.368 1.00 0.61 C ATOM 286 O LYS A 21 -2.323 8.006 -4.464 1.00 0.69 O ATOM 287 CB LYS A 21 -1.734 11.052 -3.071 1.00 0.69 C ATOM 288 CG LYS A 21 -0.521 10.929 -4.006 1.00 0.84 C ATOM 289 CD LYS A 21 0.578 11.896 -3.530 1.00 1.29 C ATOM 290 CE LYS A 21 1.903 11.666 -4.277 1.00 2.27 C ATOM 291 NZ LYS A 21 3.071 12.238 -3.569 1.00 3.47 N ATOM 0 H LYS A 21 -3.544 10.760 -1.437 1.00 0.64 H new ATOM 0 HA LYS A 21 -3.335 10.247 -4.206 1.00 0.66 H new ATOM 0 HB2 LYS A 21 -2.169 12.043 -3.203 1.00 0.69 H new ATOM 0 HB3 LYS A 21 -1.380 10.993 -2.042 1.00 0.69 H new ATOM 0 HG2 LYS A 21 -0.148 9.905 -4.006 1.00 0.84 H new ATOM 0 HG3 LYS A 21 -0.810 11.163 -5.031 1.00 0.84 H new ATOM 0 HD2 LYS A 21 0.249 12.924 -3.682 1.00 1.29 H new ATOM 0 HD3 LYS A 21 0.737 11.767 -2.459 1.00 1.29 H new ATOM 0 HE2 LYS A 21 2.056 10.595 -4.414 1.00 2.27 H new ATOM 0 HE3 LYS A 21 1.835 12.108 -5.271 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 3.798 11.504 -3.450 1.00 3.47 H new ATOM 0 HZ2 LYS A 21 3.461 13.026 -4.124 1.00 3.47 H new ATOM 0 HZ3 LYS A 21 2.775 12.586 -2.635 1.00 3.47 H new ATOM 305 N ILE A 22 -1.895 7.973 -2.245 1.00 0.50 N ATOM 306 CA ILE A 22 -1.555 6.553 -2.243 1.00 0.43 C ATOM 307 C ILE A 22 -2.764 5.759 -2.726 1.00 0.44 C ATOM 308 O ILE A 22 -2.691 5.149 -3.789 1.00 0.48 O ATOM 309 CB ILE A 22 -1.051 6.036 -0.879 1.00 0.45 C ATOM 310 CG1 ILE A 22 0.224 6.775 -0.454 1.00 0.47 C ATOM 311 CG2 ILE A 22 -0.758 4.529 -0.988 1.00 0.55 C ATOM 312 CD1 ILE A 22 0.693 6.372 0.947 1.00 0.70 C ATOM 0 H ILE A 22 -1.781 8.443 -1.347 1.00 0.50 H new ATOM 0 HA ILE A 22 -0.715 6.413 -2.923 1.00 0.43 H new ATOM 0 HB ILE A 22 -1.821 6.216 -0.129 1.00 0.45 H new ATOM 0 HG12 ILE A 22 1.017 6.569 -1.173 1.00 0.47 H new ATOM 0 HG13 ILE A 22 0.043 7.850 -0.478 1.00 0.47 H new ATOM 0 HG21 ILE A 22 -0.401 4.157 -0.027 1.00 0.55 H new ATOM 0 HG22 ILE A 22 -1.670 4.000 -1.266 1.00 0.55 H new ATOM 0 HG23 ILE A 22 0.005 4.361 -1.748 1.00 0.55 H new ATOM 0 HD11 ILE A 22 1.599 6.923 1.200 1.00 0.70 H new ATOM 0 HD12 ILE A 22 -0.087 6.603 1.672 1.00 0.70 H new ATOM 0 HD13 ILE A 22 0.902 5.302 0.967 1.00 0.70 H new ATOM 324 N GLU A 23 -3.849 5.762 -1.943 1.00 0.46 N ATOM 325 CA GLU A 23 -5.006 4.895 -2.142 1.00 0.49 C ATOM 326 C GLU A 23 -5.431 4.886 -3.613 1.00 0.45 C ATOM 327 O GLU A 23 -5.435 3.838 -4.260 1.00 0.54 O ATOM 328 CB GLU A 23 -6.139 5.337 -1.199 1.00 0.65 C ATOM 329 CG GLU A 23 -7.212 4.261 -0.976 1.00 1.25 C ATOM 330 CD GLU A 23 -8.159 4.087 -2.158 1.00 2.67 C ATOM 331 OE1 GLU A 23 -8.330 5.070 -2.908 1.00 3.78 O ATOM 332 OE2 GLU A 23 -8.695 2.967 -2.284 1.00 3.79 O ATOM 0 H GLU A 23 -3.945 6.381 -1.138 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.746 3.866 -1.893 1.00 0.49 H new ATOM 0 HB2 GLU A 23 -5.711 5.615 -0.236 1.00 0.65 H new ATOM 0 HB3 GLU A 23 -6.612 6.230 -1.607 1.00 0.65 H new ATOM 0 HG2 GLU A 23 -6.722 3.309 -0.771 1.00 1.25 H new ATOM 0 HG3 GLU A 23 -7.793 4.518 -0.091 1.00 1.25 H new ATOM 339 N SER A 24 -5.711 6.073 -4.153 1.00 0.45 N ATOM 340 CA SER A 24 -6.189 6.243 -5.511 1.00 0.51 C ATOM 341 C SER A 24 -5.194 5.636 -6.500 1.00 0.58 C ATOM 342 O SER A 24 -5.569 4.810 -7.335 1.00 0.85 O ATOM 343 CB SER A 24 -6.438 7.733 -5.776 1.00 0.62 C ATOM 344 OG SER A 24 -7.032 7.926 -7.045 1.00 0.88 O ATOM 0 H SER A 24 -5.608 6.952 -3.645 1.00 0.45 H new ATOM 0 HA SER A 24 -7.133 5.716 -5.646 1.00 0.51 H new ATOM 0 HB2 SER A 24 -7.086 8.141 -5.000 1.00 0.62 H new ATOM 0 HB3 SER A 24 -5.496 8.278 -5.724 1.00 0.62 H new ATOM 0 HG SER A 24 -7.184 8.883 -7.193 1.00 0.88 H new ATOM 350 N SER A 25 -3.913 6.003 -6.391 1.00 0.52 N ATOM 351 CA SER A 25 -2.894 5.510 -7.306 1.00 0.59 C ATOM 352 C SER A 25 -2.823 3.984 -7.226 1.00 0.59 C ATOM 353 O SER A 25 -2.716 3.292 -8.239 1.00 0.83 O ATOM 354 CB SER A 25 -1.552 6.156 -6.968 1.00 0.62 C ATOM 355 OG SER A 25 -0.602 5.807 -7.956 1.00 1.44 O ATOM 0 H SER A 25 -3.563 6.640 -5.676 1.00 0.52 H new ATOM 0 HA SER A 25 -3.150 5.778 -8.331 1.00 0.59 H new ATOM 0 HB2 SER A 25 -1.660 7.239 -6.918 1.00 0.62 H new ATOM 0 HB3 SER A 25 -1.212 5.823 -5.987 1.00 0.62 H new ATOM 0 HG SER A 25 -0.266 6.620 -8.389 1.00 1.44 H new ATOM 361 N LEU A 26 -2.922 3.459 -6.006 1.00 0.49 N ATOM 362 CA LEU A 26 -2.916 2.041 -5.746 1.00 0.63 C ATOM 363 C LEU A 26 -4.104 1.360 -6.427 1.00 0.63 C ATOM 364 O LEU A 26 -3.909 0.384 -7.146 1.00 0.73 O ATOM 365 CB LEU A 26 -2.875 1.809 -4.231 1.00 0.76 C ATOM 366 CG LEU A 26 -1.758 0.865 -3.793 1.00 0.96 C ATOM 367 CD1 LEU A 26 -1.957 -0.533 -4.375 1.00 2.81 C ATOM 368 CD2 LEU A 26 -0.360 1.388 -4.135 1.00 1.59 C ATOM 0 H LEU A 26 -3.010 4.027 -5.163 1.00 0.49 H new ATOM 0 HA LEU A 26 -2.024 1.583 -6.175 1.00 0.63 H new ATOM 0 HB2 LEU A 26 -2.749 2.767 -3.727 1.00 0.76 H new ATOM 0 HB3 LEU A 26 -3.833 1.402 -3.907 1.00 0.76 H new ATOM 0 HG LEU A 26 -1.820 0.811 -2.706 1.00 0.96 H new ATOM 0 HD11 LEU A 26 -1.146 -1.183 -4.046 1.00 2.81 H new ATOM 0 HD12 LEU A 26 -2.909 -0.938 -4.032 1.00 2.81 H new ATOM 0 HD13 LEU A 26 -1.958 -0.477 -5.464 1.00 2.81 H new ATOM 0 HD21 LEU A 26 0.389 0.672 -3.798 1.00 1.59 H new ATOM 0 HD22 LEU A 26 -0.275 1.521 -5.214 1.00 1.59 H new ATOM 0 HD23 LEU A 26 -0.197 2.344 -3.638 1.00 1.59 H new ATOM 380 N THR A 27 -5.332 1.867 -6.259 1.00 0.58 N ATOM 381 CA THR A 27 -6.483 1.302 -6.963 1.00 0.59 C ATOM 382 C THR A 27 -6.247 1.301 -8.475 1.00 0.66 C ATOM 383 O THR A 27 -6.523 0.318 -9.162 1.00 1.33 O ATOM 384 CB THR A 27 -7.800 2.002 -6.609 1.00 0.76 C ATOM 385 OG1 THR A 27 -7.796 3.364 -6.976 1.00 2.13 O ATOM 386 CG2 THR A 27 -8.153 1.857 -5.128 1.00 1.46 C ATOM 0 H THR A 27 -5.550 2.656 -5.650 1.00 0.58 H new ATOM 0 HA THR A 27 -6.583 0.271 -6.625 1.00 0.59 H new ATOM 0 HB THR A 27 -8.570 1.497 -7.191 1.00 0.76 H new ATOM 0 HG1 THR A 27 -6.902 3.739 -6.832 1.00 2.13 H new ATOM 0 HG21 THR A 27 -9.094 2.369 -4.926 1.00 1.46 H new ATOM 0 HG22 THR A 27 -8.255 0.800 -4.880 1.00 1.46 H new ATOM 0 HG23 THR A 27 -7.362 2.298 -4.521 1.00 1.46 H new ATOM 394 N LYS A 28 -5.672 2.394 -8.982 1.00 0.71 N ATOM 395 CA LYS A 28 -5.271 2.557 -10.371 1.00 0.79 C ATOM 396 C LYS A 28 -4.275 1.473 -10.848 1.00 1.04 C ATOM 397 O LYS A 28 -4.041 1.358 -12.054 1.00 1.56 O ATOM 398 CB LYS A 28 -4.828 4.026 -10.564 1.00 1.13 C ATOM 399 CG LYS A 28 -3.724 4.308 -11.586 1.00 1.57 C ATOM 400 CD LYS A 28 -4.223 4.156 -13.032 1.00 2.43 C ATOM 401 CE LYS A 28 -3.090 3.850 -14.022 1.00 3.63 C ATOM 402 NZ LYS A 28 -2.366 2.609 -13.671 1.00 4.63 N ATOM 0 H LYS A 28 -5.468 3.215 -8.412 1.00 0.71 H new ATOM 0 HA LYS A 28 -6.112 2.380 -11.041 1.00 0.79 H new ATOM 0 HB2 LYS A 28 -5.705 4.606 -10.850 1.00 1.13 H new ATOM 0 HB3 LYS A 28 -4.496 4.406 -9.598 1.00 1.13 H new ATOM 0 HG2 LYS A 28 -3.343 5.319 -11.439 1.00 1.57 H new ATOM 0 HG3 LYS A 28 -2.891 3.626 -11.417 1.00 1.57 H new ATOM 0 HD2 LYS A 28 -4.963 3.356 -13.074 1.00 2.43 H new ATOM 0 HD3 LYS A 28 -4.727 5.073 -13.336 1.00 2.43 H new ATOM 0 HE2 LYS A 28 -3.502 3.757 -15.027 1.00 3.63 H new ATOM 0 HE3 LYS A 28 -2.390 4.685 -14.041 1.00 3.63 H new ATOM 0 HZ1 LYS A 28 -1.900 2.228 -14.519 1.00 4.63 H new ATOM 0 HZ2 LYS A 28 -1.650 2.818 -12.946 1.00 4.63 H new ATOM 0 HZ3 LYS A 28 -3.039 1.908 -13.301 1.00 4.63 H new ATOM 416 N HIS A 29 -3.714 0.626 -9.973 1.00 0.81 N ATOM 417 CA HIS A 29 -3.037 -0.593 -10.417 1.00 0.88 C ATOM 418 C HIS A 29 -3.968 -1.473 -11.258 1.00 1.23 C ATOM 419 O HIS A 29 -3.495 -2.208 -12.121 1.00 2.92 O ATOM 420 CB HIS A 29 -2.552 -1.430 -9.224 1.00 1.00 C ATOM 421 CG HIS A 29 -1.333 -0.927 -8.491 1.00 1.51 C ATOM 422 ND1 HIS A 29 -0.494 -1.721 -7.743 1.00 3.20 N ATOM 423 CD2 HIS A 29 -0.780 0.326 -8.539 1.00 0.99 C ATOM 424 CE1 HIS A 29 0.549 -0.967 -7.363 1.00 3.24 C ATOM 425 NE2 HIS A 29 0.423 0.289 -7.823 1.00 1.83 N ATOM 0 H HIS A 29 -3.717 0.764 -8.962 1.00 0.81 H new ATOM 0 HA HIS A 29 -2.186 -0.270 -11.017 1.00 0.88 H new ATOM 0 HB2 HIS A 29 -3.371 -1.508 -8.508 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -2.342 -2.439 -9.580 1.00 1.00 H new ATOM 0 HD1 HIS A 29 -0.639 -2.705 -7.518 1.00 3.20 H new ATOM 0 HD2 HIS A 29 -1.197 1.187 -9.039 1.00 0.99 H new ATOM 0 HE1 HIS A 29 1.378 -1.322 -6.768 1.00 3.24 H new ATOM 433 N ARG A 30 -5.273 -1.467 -10.958 1.00 1.62 N ATOM 434 CA ARG A 30 -6.285 -2.395 -11.455 1.00 1.72 C ATOM 435 C ARG A 30 -6.096 -3.784 -10.849 1.00 1.67 C ATOM 436 O ARG A 30 -7.045 -4.348 -10.311 1.00 2.37 O ATOM 437 CB ARG A 30 -6.372 -2.457 -12.988 1.00 2.07 C ATOM 438 CG ARG A 30 -6.756 -1.107 -13.607 1.00 3.22 C ATOM 439 CD ARG A 30 -6.949 -1.284 -15.118 1.00 3.73 C ATOM 440 NE ARG A 30 -7.495 -0.069 -15.742 1.00 5.11 N ATOM 441 CZ ARG A 30 -7.828 0.036 -17.040 1.00 6.15 C ATOM 442 NH1 ARG A 30 -7.609 -0.993 -17.866 1.00 6.27 N ATOM 443 NH2 ARG A 30 -8.378 1.164 -17.504 1.00 7.56 N ATOM 0 H ARG A 30 -5.669 -0.772 -10.325 1.00 1.62 H new ATOM 0 HA ARG A 30 -7.245 -1.998 -11.126 1.00 1.72 H new ATOM 0 HB2 ARG A 30 -5.412 -2.778 -13.391 1.00 2.07 H new ATOM 0 HB3 ARG A 30 -7.107 -3.208 -13.277 1.00 2.07 H new ATOM 0 HG2 ARG A 30 -7.673 -0.732 -13.152 1.00 3.22 H new ATOM 0 HG3 ARG A 30 -5.978 -0.369 -13.411 1.00 3.22 H new ATOM 0 HD2 ARG A 30 -5.994 -1.533 -15.580 1.00 3.73 H new ATOM 0 HD3 ARG A 30 -7.621 -2.122 -15.304 1.00 3.73 H new ATOM 0 HE ARG A 30 -7.630 0.750 -15.149 1.00 5.11 H new ATOM 0 HH11 ARG A 30 -7.191 -1.853 -17.510 1.00 6.27 H new ATOM 0 HH12 ARG A 30 -7.860 -0.918 -18.852 1.00 6.27 H new ATOM 0 HH21 ARG A 30 -8.546 1.947 -16.872 1.00 7.56 H new ATOM 0 HH22 ARG A 30 -8.630 1.241 -18.489 1.00 7.56 H new ATOM 457 N GLY A 31 -4.881 -4.336 -10.914 1.00 1.40 N ATOM 458 CA GLY A 31 -4.555 -5.638 -10.351 1.00 1.43 C ATOM 459 C GLY A 31 -4.473 -5.619 -8.824 1.00 1.14 C ATOM 460 O GLY A 31 -3.480 -6.052 -8.248 1.00 1.60 O ATOM 0 H GLY A 31 -4.089 -3.880 -11.367 1.00 1.40 H new ATOM 0 HA2 GLY A 31 -5.309 -6.362 -10.661 1.00 1.43 H new ATOM 0 HA3 GLY A 31 -3.602 -5.976 -10.757 1.00 1.43 H new ATOM 464 N ILE A 32 -5.521 -5.132 -8.161 1.00 1.38 N ATOM 465 CA ILE A 32 -5.682 -5.174 -6.720 1.00 1.21 C ATOM 466 C ILE A 32 -7.123 -5.581 -6.434 1.00 1.23 C ATOM 467 O ILE A 32 -7.935 -5.671 -7.353 1.00 1.74 O ATOM 468 CB ILE A 32 -5.282 -3.834 -6.067 1.00 1.29 C ATOM 469 CG1 ILE A 32 -5.998 -2.588 -6.621 1.00 2.06 C ATOM 470 CG2 ILE A 32 -3.764 -3.637 -6.180 1.00 1.51 C ATOM 471 CD1 ILE A 32 -7.483 -2.507 -6.243 1.00 3.17 C ATOM 0 H ILE A 32 -6.305 -4.683 -8.635 1.00 1.38 H new ATOM 0 HA ILE A 32 -5.012 -5.909 -6.274 1.00 1.21 H new ATOM 0 HB ILE A 32 -5.603 -3.918 -5.029 1.00 1.29 H new ATOM 0 HG12 ILE A 32 -5.490 -1.696 -6.254 1.00 2.06 H new ATOM 0 HG13 ILE A 32 -5.908 -2.582 -7.707 1.00 2.06 H new ATOM 0 HG21 ILE A 32 -3.485 -2.690 -5.718 1.00 1.51 H new ATOM 0 HG22 ILE A 32 -3.252 -4.454 -5.671 1.00 1.51 H new ATOM 0 HG23 ILE A 32 -3.476 -3.627 -7.231 1.00 1.51 H new ATOM 0 HD11 ILE A 32 -7.918 -1.603 -6.669 1.00 3.17 H new ATOM 0 HD12 ILE A 32 -8.006 -3.380 -6.633 1.00 3.17 H new ATOM 0 HD13 ILE A 32 -7.581 -2.480 -5.158 1.00 3.17 H new ATOM 483 N LEU A 33 -7.428 -5.836 -5.164 1.00 0.88 N ATOM 484 CA LEU A 33 -8.743 -6.258 -4.708 1.00 1.01 C ATOM 485 C LEU A 33 -9.311 -5.205 -3.756 1.00 1.02 C ATOM 486 O LEU A 33 -10.491 -4.876 -3.841 1.00 1.23 O ATOM 487 CB LEU A 33 -8.638 -7.634 -4.039 1.00 0.96 C ATOM 488 CG LEU A 33 -7.977 -8.693 -4.940 1.00 1.08 C ATOM 489 CD1 LEU A 33 -7.692 -9.956 -4.127 1.00 2.16 C ATOM 490 CD2 LEU A 33 -8.849 -9.051 -6.149 1.00 1.57 C ATOM 0 H LEU A 33 -6.749 -5.752 -4.408 1.00 0.88 H new ATOM 0 HA LEU A 33 -9.425 -6.351 -5.553 1.00 1.01 H new ATOM 0 HB2 LEU A 33 -8.064 -7.541 -3.117 1.00 0.96 H new ATOM 0 HB3 LEU A 33 -9.636 -7.973 -3.761 1.00 0.96 H new ATOM 0 HG LEU A 33 -7.047 -8.267 -5.316 1.00 1.08 H new ATOM 0 HD11 LEU A 33 -7.224 -10.703 -4.768 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -7.022 -9.714 -3.302 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -8.627 -10.352 -3.730 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -8.341 -9.801 -6.755 1.00 1.57 H new ATOM 0 HD22 LEU A 33 -9.804 -9.449 -5.804 1.00 1.57 H new ATOM 0 HD23 LEU A 33 -9.023 -8.158 -6.749 1.00 1.57 H new ATOM 502 N TYR A 34 -8.482 -4.668 -2.852 1.00 0.82 N ATOM 503 CA TYR A 34 -8.886 -3.594 -1.954 1.00 0.80 C ATOM 504 C TYR A 34 -7.642 -2.830 -1.517 1.00 0.67 C ATOM 505 O TYR A 34 -6.559 -3.409 -1.531 1.00 0.59 O ATOM 506 CB TYR A 34 -9.611 -4.190 -0.740 1.00 0.80 C ATOM 507 CG TYR A 34 -10.210 -3.179 0.214 1.00 0.81 C ATOM 508 CD1 TYR A 34 -11.143 -2.235 -0.253 1.00 1.90 C ATOM 509 CD2 TYR A 34 -9.898 -3.234 1.586 1.00 2.28 C ATOM 510 CE1 TYR A 34 -11.739 -1.332 0.643 1.00 1.96 C ATOM 511 CE2 TYR A 34 -10.537 -2.369 2.488 1.00 2.36 C ATOM 512 CZ TYR A 34 -11.443 -1.403 2.014 1.00 1.13 C ATOM 513 OH TYR A 34 -12.070 -0.564 2.885 1.00 1.42 O ATOM 0 H TYR A 34 -7.516 -4.969 -2.727 1.00 0.82 H new ATOM 0 HA TYR A 34 -9.567 -2.910 -2.460 1.00 0.80 H new ATOM 0 HB2 TYR A 34 -10.406 -4.844 -1.097 1.00 0.80 H new ATOM 0 HB3 TYR A 34 -8.908 -4.814 -0.188 1.00 0.80 H new ATOM 0 HD1 TYR A 34 -11.401 -2.205 -1.301 1.00 1.90 H new ATOM 0 HD2 TYR A 34 -9.166 -3.943 1.945 1.00 2.28 H new ATOM 0 HE1 TYR A 34 -12.425 -0.583 0.277 1.00 1.96 H new ATOM 0 HE2 TYR A 34 -10.333 -2.445 3.546 1.00 2.36 H new ATOM 0 HH TYR A 34 -11.754 -0.742 3.795 1.00 1.42 H new ATOM 523 N CYS A 35 -7.795 -1.567 -1.112 1.00 0.72 N ATOM 524 CA CYS A 35 -6.744 -0.702 -0.594 1.00 0.68 C ATOM 525 C CYS A 35 -7.318 -0.069 0.665 1.00 0.66 C ATOM 526 O CYS A 35 -8.445 0.421 0.644 1.00 1.08 O ATOM 527 CB CYS A 35 -6.408 0.383 -1.622 1.00 1.03 C ATOM 528 SG CYS A 35 -5.826 -0.341 -3.175 1.00 2.76 S ATOM 0 H CYS A 35 -8.702 -1.101 -1.140 1.00 0.72 H new ATOM 0 HA CYS A 35 -5.828 -1.255 -0.386 1.00 0.68 H new ATOM 0 HB2 CYS A 35 -7.291 0.994 -1.811 1.00 1.03 H new ATOM 0 HB3 CYS A 35 -5.643 1.046 -1.218 1.00 1.03 H new ATOM 0 HG CYS A 35 -5.956 0.527 -4.134 1.00 2.76 H new ATOM 534 N SER A 36 -6.583 -0.107 1.777 1.00 0.44 N ATOM 535 CA SER A 36 -6.968 0.592 2.992 1.00 0.53 C ATOM 536 C SER A 36 -5.705 1.100 3.684 1.00 0.49 C ATOM 537 O SER A 36 -5.017 0.348 4.385 1.00 0.66 O ATOM 538 CB SER A 36 -7.837 -0.312 3.866 1.00 0.75 C ATOM 539 OG SER A 36 -7.174 -1.523 4.172 1.00 2.67 O ATOM 0 H SER A 36 -5.707 -0.623 1.855 1.00 0.44 H new ATOM 0 HA SER A 36 -7.584 1.463 2.769 1.00 0.53 H new ATOM 0 HB2 SER A 36 -8.093 0.208 4.789 1.00 0.75 H new ATOM 0 HB3 SER A 36 -8.773 -0.528 3.351 1.00 0.75 H new ATOM 0 HG SER A 36 -6.569 -1.760 3.438 1.00 2.67 H new ATOM 545 N VAL A 37 -5.399 2.374 3.457 1.00 0.48 N ATOM 546 CA VAL A 37 -4.173 3.032 3.868 1.00 0.61 C ATOM 547 C VAL A 37 -4.503 4.136 4.871 1.00 0.84 C ATOM 548 O VAL A 37 -5.532 4.795 4.743 1.00 1.13 O ATOM 549 CB VAL A 37 -3.415 3.485 2.608 1.00 1.03 C ATOM 550 CG1 VAL A 37 -4.269 4.331 1.661 1.00 1.70 C ATOM 551 CG2 VAL A 37 -2.129 4.238 2.936 1.00 2.32 C ATOM 0 H VAL A 37 -6.031 3.000 2.958 1.00 0.48 H new ATOM 0 HA VAL A 37 -3.497 2.361 4.398 1.00 0.61 H new ATOM 0 HB VAL A 37 -3.159 2.558 2.096 1.00 1.03 H new ATOM 0 HG11 VAL A 37 -3.675 4.617 0.793 1.00 1.70 H new ATOM 0 HG12 VAL A 37 -5.133 3.752 1.334 1.00 1.70 H new ATOM 0 HG13 VAL A 37 -4.609 5.227 2.180 1.00 1.70 H new ATOM 0 HG21 VAL A 37 -1.635 4.534 2.011 1.00 2.32 H new ATOM 0 HG22 VAL A 37 -2.367 5.127 3.521 1.00 2.32 H new ATOM 0 HG23 VAL A 37 -1.466 3.592 3.511 1.00 2.32 H new ATOM 561 N ALA A 38 -3.675 4.282 5.913 1.00 0.79 N ATOM 562 CA ALA A 38 -3.952 5.174 7.028 1.00 0.85 C ATOM 563 C ALA A 38 -2.656 5.603 7.694 1.00 0.79 C ATOM 564 O ALA A 38 -1.911 4.754 8.183 1.00 0.70 O ATOM 565 CB ALA A 38 -4.799 4.456 8.079 1.00 0.90 C ATOM 0 H ALA A 38 -2.792 3.779 6.000 1.00 0.79 H new ATOM 0 HA ALA A 38 -4.483 6.042 6.638 1.00 0.85 H new ATOM 0 HB1 ALA A 38 -5.000 5.133 8.909 1.00 0.90 H new ATOM 0 HB2 ALA A 38 -5.742 4.139 7.632 1.00 0.90 H new ATOM 0 HB3 ALA A 38 -4.260 3.583 8.446 1.00 0.90 H new ATOM 571 N LEU A 39 -2.426 6.916 7.782 1.00 1.00 N ATOM 572 CA LEU A 39 -1.364 7.461 8.618 1.00 0.94 C ATOM 573 C LEU A 39 -1.673 7.178 10.086 1.00 0.82 C ATOM 574 O LEU A 39 -0.770 6.926 10.875 1.00 0.87 O ATOM 575 CB LEU A 39 -1.137 8.951 8.314 1.00 1.24 C ATOM 576 CG LEU A 39 -2.251 9.910 8.775 1.00 0.92 C ATOM 577 CD1 LEU A 39 -2.018 10.430 10.202 1.00 1.82 C ATOM 578 CD2 LEU A 39 -2.281 11.131 7.852 1.00 1.09 C ATOM 0 H LEU A 39 -2.966 7.621 7.280 1.00 1.00 H new ATOM 0 HA LEU A 39 -0.420 6.967 8.389 1.00 0.94 H new ATOM 0 HB2 LEU A 39 -0.202 9.259 8.783 1.00 1.24 H new ATOM 0 HB3 LEU A 39 -1.007 9.067 7.238 1.00 1.24 H new ATOM 0 HG LEU A 39 -3.185 9.349 8.746 1.00 0.92 H new ATOM 0 HD11 LEU A 39 -2.829 11.102 10.481 1.00 1.82 H new ATOM 0 HD12 LEU A 39 -1.988 9.589 10.895 1.00 1.82 H new ATOM 0 HD13 LEU A 39 -1.071 10.968 10.243 1.00 1.82 H new ATOM 0 HD21 LEU A 39 -3.068 11.812 8.175 1.00 1.09 H new ATOM 0 HD22 LEU A 39 -1.319 11.642 7.894 1.00 1.09 H new ATOM 0 HD23 LEU A 39 -2.477 10.809 6.829 1.00 1.09 H new ATOM 590 N ALA A 40 -2.963 7.161 10.443 1.00 0.96 N ATOM 591 CA ALA A 40 -3.422 6.987 11.815 1.00 1.09 C ATOM 592 C ALA A 40 -2.894 5.691 12.431 1.00 1.06 C ATOM 593 O ALA A 40 -2.624 5.643 13.627 1.00 1.37 O ATOM 594 CB ALA A 40 -4.952 7.021 11.851 1.00 1.47 C ATOM 0 H ALA A 40 -3.724 7.270 9.772 1.00 0.96 H new ATOM 0 HA ALA A 40 -3.028 7.808 12.414 1.00 1.09 H new ATOM 0 HB1 ALA A 40 -5.295 6.891 12.877 1.00 1.47 H new ATOM 0 HB2 ALA A 40 -5.304 7.980 11.470 1.00 1.47 H new ATOM 0 HB3 ALA A 40 -5.348 6.217 11.231 1.00 1.47 H new ATOM 600 N THR A 41 -2.761 4.644 11.610 1.00 0.94 N ATOM 601 CA THR A 41 -2.190 3.362 12.013 1.00 0.98 C ATOM 602 C THR A 41 -0.920 3.084 11.206 1.00 0.96 C ATOM 603 O THR A 41 -0.508 1.937 11.074 1.00 1.58 O ATOM 604 CB THR A 41 -3.276 2.280 11.848 1.00 1.19 C ATOM 605 OG1 THR A 41 -4.471 2.711 12.469 1.00 2.16 O ATOM 606 CG2 THR A 41 -2.926 0.910 12.440 1.00 1.39 C ATOM 0 H THR A 41 -3.053 4.667 10.633 1.00 0.94 H new ATOM 0 HA THR A 41 -1.885 3.368 13.059 1.00 0.98 H new ATOM 0 HB THR A 41 -3.377 2.150 10.771 1.00 1.19 H new ATOM 0 HG1 THR A 41 -5.161 2.024 12.362 1.00 2.16 H new ATOM 0 HG21 THR A 41 -3.753 0.219 12.273 1.00 1.39 H new ATOM 0 HG22 THR A 41 -2.028 0.524 11.958 1.00 1.39 H new ATOM 0 HG23 THR A 41 -2.749 1.011 13.511 1.00 1.39 H new ATOM 614 N ASN A 42 -0.308 4.144 10.665 1.00 0.59 N ATOM 615 CA ASN A 42 0.821 4.125 9.746 1.00 0.65 C ATOM 616 C ASN A 42 0.926 2.846 8.937 1.00 0.68 C ATOM 617 O ASN A 42 1.927 2.144 9.024 1.00 0.96 O ATOM 618 CB ASN A 42 2.123 4.475 10.491 1.00 0.83 C ATOM 619 CG ASN A 42 2.216 5.981 10.634 1.00 0.71 C ATOM 620 OD1 ASN A 42 2.260 6.522 11.732 1.00 1.48 O ATOM 621 ND2 ASN A 42 2.190 6.664 9.495 1.00 1.56 N ATOM 0 H ASN A 42 -0.612 5.095 10.875 1.00 0.59 H new ATOM 0 HA ASN A 42 0.643 4.899 8.999 1.00 0.65 H new ATOM 0 HB2 ASN A 42 2.135 4.002 11.473 1.00 0.83 H new ATOM 0 HB3 ASN A 42 2.985 4.094 9.943 1.00 0.83 H new ATOM 0 HD21 ASN A 42 2.207 7.684 9.511 1.00 1.56 H new ATOM 0 HD22 ASN A 42 2.153 6.169 8.604 1.00 1.56 H new ATOM 628 N LYS A 43 -0.090 2.547 8.127 1.00 0.58 N ATOM 629 CA LYS A 43 -0.136 1.283 7.416 1.00 0.64 C ATOM 630 C LYS A 43 -0.797 1.437 6.066 1.00 0.58 C ATOM 631 O LYS A 43 -1.499 2.420 5.819 1.00 0.60 O ATOM 632 CB LYS A 43 -0.825 0.206 8.271 1.00 0.76 C ATOM 633 CG LYS A 43 -2.310 0.461 8.591 1.00 1.13 C ATOM 634 CD LYS A 43 -3.256 0.090 7.433 1.00 1.27 C ATOM 635 CE LYS A 43 -4.710 -0.089 7.891 1.00 1.56 C ATOM 636 NZ LYS A 43 -5.540 -0.702 6.828 1.00 2.47 N ATOM 0 H LYS A 43 -0.884 3.163 7.952 1.00 0.58 H new ATOM 0 HA LYS A 43 0.888 0.956 7.233 1.00 0.64 H new ATOM 0 HB2 LYS A 43 -0.742 -0.750 7.755 1.00 0.76 H new ATOM 0 HB3 LYS A 43 -0.281 0.110 9.210 1.00 0.76 H new ATOM 0 HG2 LYS A 43 -2.587 -0.113 9.475 1.00 1.13 H new ATOM 0 HG3 LYS A 43 -2.445 1.514 8.838 1.00 1.13 H new ATOM 0 HD2 LYS A 43 -3.213 0.868 6.670 1.00 1.27 H new ATOM 0 HD3 LYS A 43 -2.910 -0.833 6.968 1.00 1.27 H new ATOM 0 HE2 LYS A 43 -4.738 -0.715 8.783 1.00 1.56 H new ATOM 0 HE3 LYS A 43 -5.128 0.879 8.168 1.00 1.56 H new ATOM 0 HZ1 LYS A 43 -6.524 -0.382 6.928 1.00 2.47 H new ATOM 0 HZ2 LYS A 43 -5.176 -0.418 5.896 1.00 2.47 H new ATOM 0 HZ3 LYS A 43 -5.503 -1.738 6.913 1.00 2.47 H new ATOM 650 N ALA A 44 -0.628 0.402 5.246 1.00 0.61 N ATOM 651 CA ALA A 44 -1.472 0.128 4.105 1.00 0.51 C ATOM 652 C ALA A 44 -1.723 -1.368 4.043 1.00 0.56 C ATOM 653 O ALA A 44 -0.779 -2.152 4.073 1.00 0.68 O ATOM 654 CB ALA A 44 -0.872 0.669 2.810 1.00 0.57 C ATOM 0 H ALA A 44 0.120 -0.281 5.367 1.00 0.61 H new ATOM 0 HA ALA A 44 -2.424 0.646 4.222 1.00 0.51 H new ATOM 0 HB1 ALA A 44 -1.538 0.442 1.978 1.00 0.57 H new ATOM 0 HB2 ALA A 44 -0.747 1.749 2.890 1.00 0.57 H new ATOM 0 HB3 ALA A 44 0.098 0.203 2.636 1.00 0.57 H new ATOM 660 N HIS A 45 -3.006 -1.732 4.001 1.00 0.65 N ATOM 661 CA HIS A 45 -3.502 -3.073 3.758 1.00 0.69 C ATOM 662 C HIS A 45 -4.097 -3.027 2.362 1.00 0.55 C ATOM 663 O HIS A 45 -5.183 -2.471 2.173 1.00 0.55 O ATOM 664 CB HIS A 45 -4.480 -3.434 4.882 1.00 0.81 C ATOM 665 CG HIS A 45 -5.166 -4.773 4.783 1.00 0.77 C ATOM 666 ND1 HIS A 45 -5.265 -5.693 5.805 1.00 0.85 N ATOM 667 CD2 HIS A 45 -6.028 -5.168 3.795 1.00 0.66 C ATOM 668 CE1 HIS A 45 -6.162 -6.621 5.430 1.00 0.84 C ATOM 669 NE2 HIS A 45 -6.647 -6.351 4.208 1.00 0.82 N ATOM 0 H HIS A 45 -3.759 -1.059 4.144 1.00 0.65 H new ATOM 0 HA HIS A 45 -2.749 -3.861 3.779 1.00 0.69 H new ATOM 0 HB2 HIS A 45 -3.939 -3.399 5.827 1.00 0.81 H new ATOM 0 HB3 HIS A 45 -5.248 -2.661 4.925 1.00 0.81 H new ATOM 0 HD1 HIS A 45 -4.751 -5.673 6.686 1.00 0.85 H new ATOM 0 HD2 HIS A 45 -6.199 -4.655 2.860 1.00 0.66 H new ATOM 0 HE1 HIS A 45 -6.453 -7.470 6.031 1.00 0.84 H new ATOM 677 N ILE A 46 -3.340 -3.559 1.399 1.00 0.67 N ATOM 678 CA ILE A 46 -3.776 -3.779 0.034 1.00 0.67 C ATOM 679 C ILE A 46 -4.079 -5.271 -0.059 1.00 0.65 C ATOM 680 O ILE A 46 -3.185 -6.096 0.127 1.00 1.13 O ATOM 681 CB ILE A 46 -2.696 -3.361 -0.986 1.00 0.91 C ATOM 682 CG1 ILE A 46 -2.475 -1.845 -1.087 1.00 1.74 C ATOM 683 CG2 ILE A 46 -3.085 -3.818 -2.402 1.00 1.59 C ATOM 684 CD1 ILE A 46 -1.986 -1.178 0.194 1.00 1.73 C ATOM 0 H ILE A 46 -2.378 -3.855 1.562 1.00 0.67 H new ATOM 0 HA ILE A 46 -4.650 -3.173 -0.205 1.00 0.67 H new ATOM 0 HB ILE A 46 -1.785 -3.833 -0.619 1.00 0.91 H new ATOM 0 HG12 ILE A 46 -1.752 -1.650 -1.879 1.00 1.74 H new ATOM 0 HG13 ILE A 46 -3.412 -1.376 -1.388 1.00 1.74 H new ATOM 0 HG21 ILE A 46 -2.312 -3.514 -3.108 1.00 1.59 H new ATOM 0 HG22 ILE A 46 -3.186 -4.903 -2.419 1.00 1.59 H new ATOM 0 HG23 ILE A 46 -4.033 -3.361 -2.684 1.00 1.59 H new ATOM 0 HD11 ILE A 46 -1.860 -0.109 0.022 1.00 1.73 H new ATOM 0 HD12 ILE A 46 -2.717 -1.334 0.987 1.00 1.73 H new ATOM 0 HD13 ILE A 46 -1.031 -1.613 0.489 1.00 1.73 H new ATOM 696 N LYS A 47 -5.326 -5.633 -0.350 1.00 0.49 N ATOM 697 CA LYS A 47 -5.631 -6.986 -0.781 1.00 0.52 C ATOM 698 C LYS A 47 -5.294 -7.047 -2.272 1.00 0.51 C ATOM 699 O LYS A 47 -5.699 -6.148 -3.013 1.00 0.58 O ATOM 700 CB LYS A 47 -7.102 -7.308 -0.509 1.00 0.64 C ATOM 701 CG LYS A 47 -7.445 -7.448 0.982 1.00 0.64 C ATOM 702 CD LYS A 47 -6.987 -8.775 1.611 1.00 1.59 C ATOM 703 CE LYS A 47 -8.008 -9.922 1.521 1.00 1.85 C ATOM 704 NZ LYS A 47 -8.348 -10.282 0.132 1.00 2.59 N ATOM 0 H LYS A 47 -6.133 -5.011 -0.295 1.00 0.49 H new ATOM 0 HA LYS A 47 -5.051 -7.730 -0.235 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -7.721 -6.522 -0.942 1.00 0.64 H new ATOM 0 HB3 LYS A 47 -7.361 -8.236 -1.020 1.00 0.64 H new ATOM 0 HG2 LYS A 47 -6.988 -6.623 1.528 1.00 0.64 H new ATOM 0 HG3 LYS A 47 -8.524 -7.353 1.106 1.00 0.64 H new ATOM 0 HD2 LYS A 47 -6.064 -9.091 1.125 1.00 1.59 H new ATOM 0 HD3 LYS A 47 -6.751 -8.600 2.661 1.00 1.59 H new ATOM 0 HE2 LYS A 47 -7.607 -10.799 2.030 1.00 1.85 H new ATOM 0 HE3 LYS A 47 -8.917 -9.634 2.049 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 -8.813 -11.212 0.118 1.00 2.59 H new ATOM 0 HZ2 LYS A 47 -8.991 -9.567 -0.264 1.00 2.59 H new ATOM 0 HZ3 LYS A 47 -7.480 -10.321 -0.439 1.00 2.59 H new ATOM 718 N TYR A 48 -4.530 -8.056 -2.698 1.00 0.69 N ATOM 719 CA TYR A 48 -3.929 -8.128 -4.027 1.00 0.70 C ATOM 720 C TYR A 48 -4.020 -9.556 -4.557 1.00 0.70 C ATOM 721 O TYR A 48 -3.946 -10.502 -3.776 1.00 0.78 O ATOM 722 CB TYR A 48 -2.463 -7.669 -3.979 1.00 0.84 C ATOM 723 CG TYR A 48 -1.478 -8.634 -3.337 1.00 0.94 C ATOM 724 CD1 TYR A 48 -1.565 -8.944 -1.968 1.00 1.88 C ATOM 725 CD2 TYR A 48 -0.437 -9.186 -4.103 1.00 1.62 C ATOM 726 CE1 TYR A 48 -0.636 -9.822 -1.382 1.00 2.04 C ATOM 727 CE2 TYR A 48 0.522 -10.021 -3.505 1.00 1.68 C ATOM 728 CZ TYR A 48 0.391 -10.381 -2.157 1.00 1.30 C ATOM 729 OH TYR A 48 1.293 -11.223 -1.580 1.00 1.51 O ATOM 0 H TYR A 48 -4.309 -8.862 -2.114 1.00 0.69 H new ATOM 0 HA TYR A 48 -4.474 -7.464 -4.698 1.00 0.70 H new ATOM 0 HB2 TYR A 48 -2.133 -7.470 -4.999 1.00 0.84 H new ATOM 0 HB3 TYR A 48 -2.418 -6.723 -3.439 1.00 0.84 H new ATOM 0 HD1 TYR A 48 -2.347 -8.507 -1.365 1.00 1.88 H new ATOM 0 HD2 TYR A 48 -0.374 -8.967 -5.159 1.00 1.62 H new ATOM 0 HE1 TYR A 48 -0.713 -10.067 -0.333 1.00 2.04 H new ATOM 0 HE2 TYR A 48 1.359 -10.385 -4.083 1.00 1.68 H new ATOM 0 HH TYR A 48 1.938 -11.523 -2.254 1.00 1.51 H new ATOM 739 N ASP A 49 -4.128 -9.714 -5.877 1.00 0.74 N ATOM 740 CA ASP A 49 -3.830 -10.992 -6.504 1.00 0.76 C ATOM 741 C ASP A 49 -2.301 -11.121 -6.584 1.00 0.74 C ATOM 742 O ASP A 49 -1.644 -10.165 -7.000 1.00 0.81 O ATOM 743 CB ASP A 49 -4.468 -11.079 -7.893 1.00 0.84 C ATOM 744 CG ASP A 49 -3.850 -12.240 -8.656 1.00 1.79 C ATOM 745 OD1 ASP A 49 -2.764 -12.023 -9.237 1.00 2.97 O ATOM 746 OD2 ASP A 49 -4.420 -13.345 -8.561 1.00 2.63 O ATOM 0 H ASP A 49 -4.417 -8.979 -6.522 1.00 0.74 H new ATOM 0 HA ASP A 49 -4.245 -11.812 -5.917 1.00 0.76 H new ATOM 0 HB2 ASP A 49 -5.545 -11.220 -7.803 1.00 0.84 H new ATOM 0 HB3 ASP A 49 -4.312 -10.147 -8.437 1.00 0.84 H new ATOM 751 N PRO A 50 -1.718 -12.256 -6.167 1.00 0.88 N ATOM 752 CA PRO A 50 -0.276 -12.408 -6.061 1.00 0.95 C ATOM 753 C PRO A 50 0.418 -12.764 -7.379 1.00 0.98 C ATOM 754 O PRO A 50 1.638 -12.925 -7.371 1.00 1.48 O ATOM 755 CB PRO A 50 -0.076 -13.497 -5.002 1.00 1.15 C ATOM 756 CG PRO A 50 -1.295 -14.394 -5.208 1.00 1.20 C ATOM 757 CD PRO A 50 -2.394 -13.392 -5.563 1.00 1.08 C ATOM 0 HA PRO A 50 0.186 -11.459 -5.787 1.00 0.95 H new ATOM 0 HB2 PRO A 50 0.857 -14.041 -5.152 1.00 1.15 H new ATOM 0 HB3 PRO A 50 -0.045 -13.081 -3.995 1.00 1.15 H new ATOM 0 HG2 PRO A 50 -1.134 -15.118 -6.006 1.00 1.20 H new ATOM 0 HG3 PRO A 50 -1.538 -14.960 -4.309 1.00 1.20 H new ATOM 0 HD2 PRO A 50 -3.114 -13.831 -6.254 1.00 1.08 H new ATOM 0 HD3 PRO A 50 -2.948 -13.089 -4.675 1.00 1.08 H new ATOM 765 N GLU A 51 -0.309 -12.904 -8.494 1.00 0.94 N ATOM 766 CA GLU A 51 0.284 -13.136 -9.798 1.00 0.90 C ATOM 767 C GLU A 51 0.475 -11.782 -10.482 1.00 0.84 C ATOM 768 O GLU A 51 1.562 -11.470 -10.966 1.00 1.43 O ATOM 769 CB GLU A 51 -0.619 -14.091 -10.596 1.00 1.13 C ATOM 770 CG GLU A 51 0.051 -14.536 -11.898 1.00 2.65 C ATOM 771 CD GLU A 51 -0.772 -15.594 -12.624 1.00 3.08 C ATOM 772 OE1 GLU A 51 -0.820 -16.727 -12.100 1.00 3.12 O ATOM 773 OE2 GLU A 51 -1.329 -15.252 -13.688 1.00 4.02 O ATOM 0 H GLU A 51 -1.328 -12.858 -8.507 1.00 0.94 H new ATOM 0 HA GLU A 51 1.261 -13.612 -9.722 1.00 0.90 H new ATOM 0 HB2 GLU A 51 -0.853 -14.965 -9.988 1.00 1.13 H new ATOM 0 HB3 GLU A 51 -1.564 -13.597 -10.822 1.00 1.13 H new ATOM 0 HG2 GLU A 51 0.190 -13.673 -12.549 1.00 2.65 H new ATOM 0 HG3 GLU A 51 1.042 -14.933 -11.680 1.00 2.65 H new ATOM 780 N ILE A 52 -0.581 -10.964 -10.516 1.00 0.64 N ATOM 781 CA ILE A 52 -0.568 -9.700 -11.243 1.00 0.69 C ATOM 782 C ILE A 52 0.322 -8.643 -10.578 1.00 0.72 C ATOM 783 O ILE A 52 0.833 -7.762 -11.267 1.00 0.91 O ATOM 784 CB ILE A 52 -2.009 -9.199 -11.458 1.00 0.81 C ATOM 785 CG1 ILE A 52 -2.056 -8.106 -12.542 1.00 2.06 C ATOM 786 CG2 ILE A 52 -2.626 -8.693 -10.149 1.00 2.09 C ATOM 787 CD1 ILE A 52 -3.471 -7.868 -13.079 1.00 2.64 C ATOM 0 H ILE A 52 -1.462 -11.161 -10.042 1.00 0.64 H new ATOM 0 HA ILE A 52 -0.120 -9.882 -12.220 1.00 0.69 H new ATOM 0 HB ILE A 52 -2.604 -10.045 -11.801 1.00 0.81 H new ATOM 0 HG12 ILE A 52 -1.666 -7.175 -12.131 1.00 2.06 H new ATOM 0 HG13 ILE A 52 -1.401 -8.389 -13.366 1.00 2.06 H new ATOM 0 HG21 ILE A 52 -3.643 -8.347 -10.336 1.00 2.09 H new ATOM 0 HG22 ILE A 52 -2.647 -9.503 -9.420 1.00 2.09 H new ATOM 0 HG23 ILE A 52 -2.028 -7.869 -9.760 1.00 2.09 H new ATOM 0 HD11 ILE A 52 -3.445 -7.088 -13.840 1.00 2.64 H new ATOM 0 HD12 ILE A 52 -3.854 -8.790 -13.517 1.00 2.64 H new ATOM 0 HD13 ILE A 52 -4.122 -7.557 -12.262 1.00 2.64 H new ATOM 799 N ILE A 53 0.469 -8.686 -9.251 1.00 0.68 N ATOM 800 CA ILE A 53 1.137 -7.688 -8.448 1.00 0.81 C ATOM 801 C ILE A 53 1.870 -8.463 -7.356 1.00 0.92 C ATOM 802 O ILE A 53 1.369 -9.474 -6.868 1.00 1.38 O ATOM 803 CB ILE A 53 0.063 -6.739 -7.871 1.00 0.95 C ATOM 804 CG1 ILE A 53 -0.328 -5.602 -8.832 1.00 1.37 C ATOM 805 CG2 ILE A 53 0.445 -6.155 -6.511 1.00 1.06 C ATOM 806 CD1 ILE A 53 0.749 -4.536 -9.020 1.00 0.94 C ATOM 0 H ILE A 53 0.105 -9.458 -8.692 1.00 0.68 H new ATOM 0 HA ILE A 53 1.846 -7.076 -9.006 1.00 0.81 H new ATOM 0 HB ILE A 53 -0.809 -7.378 -7.735 1.00 0.95 H new ATOM 0 HG12 ILE A 53 -0.570 -6.032 -9.804 1.00 1.37 H new ATOM 0 HG13 ILE A 53 -1.234 -5.124 -8.460 1.00 1.37 H new ATOM 0 HG21 ILE A 53 -0.351 -5.497 -6.161 1.00 1.06 H new ATOM 0 HG22 ILE A 53 0.588 -6.964 -5.795 1.00 1.06 H new ATOM 0 HG23 ILE A 53 1.370 -5.586 -6.606 1.00 1.06 H new ATOM 0 HD11 ILE A 53 0.390 -3.774 -9.712 1.00 0.94 H new ATOM 0 HD12 ILE A 53 0.976 -4.075 -8.059 1.00 0.94 H new ATOM 0 HD13 ILE A 53 1.651 -4.997 -9.424 1.00 0.94 H new ATOM 818 N GLY A 54 3.048 -7.985 -6.967 1.00 1.09 N ATOM 819 CA GLY A 54 3.817 -8.474 -5.839 1.00 1.20 C ATOM 820 C GLY A 54 4.074 -7.353 -4.825 1.00 1.02 C ATOM 821 O GLY A 54 3.633 -6.217 -5.008 1.00 1.02 O ATOM 0 H GLY A 54 3.507 -7.215 -7.452 1.00 1.09 H new ATOM 0 HA2 GLY A 54 3.282 -9.291 -5.356 1.00 1.20 H new ATOM 0 HA3 GLY A 54 4.767 -8.878 -6.189 1.00 1.20 H new ATOM 825 N PRO A 55 4.812 -7.657 -3.742 1.00 1.05 N ATOM 826 CA PRO A 55 5.239 -6.666 -2.764 1.00 1.17 C ATOM 827 C PRO A 55 6.005 -5.536 -3.447 1.00 0.89 C ATOM 828 O PRO A 55 5.733 -4.365 -3.194 1.00 0.96 O ATOM 829 CB PRO A 55 6.123 -7.417 -1.757 1.00 1.51 C ATOM 830 CG PRO A 55 6.532 -8.698 -2.486 1.00 1.26 C ATOM 831 CD PRO A 55 5.356 -8.967 -3.421 1.00 1.14 C ATOM 0 HA PRO A 55 4.390 -6.201 -2.262 1.00 1.17 H new ATOM 0 HB2 PRO A 55 6.994 -6.825 -1.475 1.00 1.51 H new ATOM 0 HB3 PRO A 55 5.578 -7.639 -0.839 1.00 1.51 H new ATOM 0 HG2 PRO A 55 7.462 -8.566 -3.039 1.00 1.26 H new ATOM 0 HG3 PRO A 55 6.689 -9.523 -1.791 1.00 1.26 H new ATOM 0 HD2 PRO A 55 5.681 -9.489 -4.321 1.00 1.14 H new ATOM 0 HD3 PRO A 55 4.607 -9.596 -2.940 1.00 1.14 H new ATOM 839 N ARG A 56 6.966 -5.910 -4.301 1.00 0.74 N ATOM 840 CA ARG A 56 7.762 -5.001 -5.113 1.00 0.88 C ATOM 841 C ARG A 56 6.895 -3.889 -5.693 1.00 0.67 C ATOM 842 O ARG A 56 7.135 -2.728 -5.395 1.00 0.68 O ATOM 843 CB ARG A 56 8.479 -5.784 -6.227 1.00 1.33 C ATOM 844 CG ARG A 56 9.894 -6.268 -5.870 1.00 1.91 C ATOM 845 CD ARG A 56 9.987 -7.178 -4.639 1.00 3.00 C ATOM 846 NE ARG A 56 9.964 -6.399 -3.389 1.00 4.03 N ATOM 847 CZ ARG A 56 10.017 -6.911 -2.149 1.00 5.73 C ATOM 848 NH1 ARG A 56 10.088 -8.236 -1.979 1.00 6.66 N ATOM 849 NH2 ARG A 56 10.002 -6.095 -1.091 1.00 6.86 N ATOM 0 H ARG A 56 7.214 -6.889 -4.445 1.00 0.74 H new ATOM 0 HA ARG A 56 8.515 -4.533 -4.479 1.00 0.88 H new ATOM 0 HB2 ARG A 56 7.871 -6.649 -6.492 1.00 1.33 H new ATOM 0 HB3 ARG A 56 8.539 -5.153 -7.114 1.00 1.33 H new ATOM 0 HG2 ARG A 56 10.304 -6.802 -6.727 1.00 1.91 H new ATOM 0 HG3 ARG A 56 10.527 -5.396 -5.705 1.00 1.91 H new ATOM 0 HD2 ARG A 56 9.157 -7.885 -4.644 1.00 3.00 H new ATOM 0 HD3 ARG A 56 10.905 -7.764 -4.687 1.00 3.00 H new ATOM 0 HE ARG A 56 9.903 -5.384 -3.473 1.00 4.03 H new ATOM 0 HH11 ARG A 56 10.102 -8.854 -2.790 1.00 6.66 H new ATOM 0 HH12 ARG A 56 10.128 -8.628 -1.038 1.00 6.66 H new ATOM 0 HH21 ARG A 56 9.950 -5.085 -1.226 1.00 6.86 H new ATOM 0 HH22 ARG A 56 10.042 -6.482 -0.148 1.00 6.86 H new ATOM 863 N ASP A 57 5.899 -4.233 -6.508 1.00 0.61 N ATOM 864 CA ASP A 57 5.091 -3.263 -7.233 1.00 0.63 C ATOM 865 C ASP A 57 4.505 -2.233 -6.270 1.00 0.50 C ATOM 866 O ASP A 57 4.676 -1.029 -6.433 1.00 0.52 O ATOM 867 CB ASP A 57 3.968 -3.991 -7.984 1.00 0.83 C ATOM 868 CG ASP A 57 4.479 -5.207 -8.735 1.00 1.36 C ATOM 869 OD1 ASP A 57 4.762 -6.200 -8.023 1.00 2.62 O ATOM 870 OD2 ASP A 57 4.597 -5.120 -9.973 1.00 2.02 O ATOM 0 H ASP A 57 5.631 -5.201 -6.683 1.00 0.61 H new ATOM 0 HA ASP A 57 5.721 -2.739 -7.952 1.00 0.63 H new ATOM 0 HB2 ASP A 57 3.199 -4.300 -7.275 1.00 0.83 H new ATOM 0 HB3 ASP A 57 3.497 -3.303 -8.686 1.00 0.83 H new ATOM 875 N ILE A 58 3.810 -2.726 -5.246 1.00 0.49 N ATOM 876 CA ILE A 58 3.137 -1.891 -4.264 1.00 0.50 C ATOM 877 C ILE A 58 4.148 -0.978 -3.573 1.00 0.46 C ATOM 878 O ILE A 58 3.968 0.240 -3.557 1.00 0.45 O ATOM 879 CB ILE A 58 2.353 -2.786 -3.294 1.00 0.55 C ATOM 880 CG1 ILE A 58 1.195 -3.433 -4.072 1.00 0.56 C ATOM 881 CG2 ILE A 58 1.816 -1.992 -2.091 1.00 0.65 C ATOM 882 CD1 ILE A 58 0.678 -4.677 -3.363 1.00 0.72 C ATOM 0 H ILE A 58 3.700 -3.726 -5.077 1.00 0.49 H new ATOM 0 HA ILE A 58 2.414 -1.232 -4.745 1.00 0.50 H new ATOM 0 HB ILE A 58 3.019 -3.550 -2.893 1.00 0.55 H new ATOM 0 HG12 ILE A 58 0.384 -2.714 -4.186 1.00 0.56 H new ATOM 0 HG13 ILE A 58 1.531 -3.697 -5.075 1.00 0.56 H new ATOM 0 HG21 ILE A 58 1.267 -2.662 -1.429 1.00 0.65 H new ATOM 0 HG22 ILE A 58 2.649 -1.547 -1.548 1.00 0.65 H new ATOM 0 HG23 ILE A 58 1.150 -1.204 -2.443 1.00 0.65 H new ATOM 0 HD11 ILE A 58 -0.140 -5.110 -3.939 1.00 0.72 H new ATOM 0 HD12 ILE A 58 1.484 -5.405 -3.272 1.00 0.72 H new ATOM 0 HD13 ILE A 58 0.319 -4.407 -2.370 1.00 0.72 H new ATOM 894 N ILE A 59 5.213 -1.559 -3.017 1.00 0.46 N ATOM 895 CA ILE A 59 6.253 -0.805 -2.341 1.00 0.48 C ATOM 896 C ILE A 59 6.786 0.280 -3.279 1.00 0.47 C ATOM 897 O ILE A 59 6.760 1.455 -2.929 1.00 0.48 O ATOM 898 CB ILE A 59 7.330 -1.784 -1.849 1.00 0.55 C ATOM 899 CG1 ILE A 59 6.753 -2.603 -0.679 1.00 0.69 C ATOM 900 CG2 ILE A 59 8.602 -1.052 -1.413 1.00 0.61 C ATOM 901 CD1 ILE A 59 7.552 -3.883 -0.449 1.00 1.19 C ATOM 0 H ILE A 59 5.372 -2.566 -3.027 1.00 0.46 H new ATOM 0 HA ILE A 59 5.868 -0.287 -1.463 1.00 0.48 H new ATOM 0 HB ILE A 59 7.607 -2.445 -2.670 1.00 0.55 H new ATOM 0 HG12 ILE A 59 6.761 -1.999 0.229 1.00 0.69 H new ATOM 0 HG13 ILE A 59 5.713 -2.854 -0.886 1.00 0.69 H new ATOM 0 HG21 ILE A 59 9.340 -1.777 -1.071 1.00 0.61 H new ATOM 0 HG22 ILE A 59 9.007 -0.492 -2.256 1.00 0.61 H new ATOM 0 HG23 ILE A 59 8.366 -0.365 -0.601 1.00 0.61 H new ATOM 0 HD11 ILE A 59 7.119 -4.438 0.383 1.00 1.19 H new ATOM 0 HD12 ILE A 59 7.522 -4.497 -1.349 1.00 1.19 H new ATOM 0 HD13 ILE A 59 8.586 -3.629 -0.217 1.00 1.19 H new ATOM 913 N HIS A 60 7.201 -0.103 -4.488 1.00 0.51 N ATOM 914 CA HIS A 60 7.711 0.821 -5.487 1.00 0.56 C ATOM 915 C HIS A 60 6.699 1.933 -5.759 1.00 0.48 C ATOM 916 O HIS A 60 7.096 3.092 -5.889 1.00 0.52 O ATOM 917 CB HIS A 60 8.062 0.088 -6.789 1.00 0.70 C ATOM 918 CG HIS A 60 9.099 -1.007 -6.681 1.00 1.41 C ATOM 919 ND1 HIS A 60 9.340 -1.953 -7.650 1.00 2.41 N ATOM 920 CD2 HIS A 60 9.900 -1.305 -5.607 1.00 2.44 C ATOM 921 CE1 HIS A 60 10.271 -2.797 -7.172 1.00 3.41 C ATOM 922 NE2 HIS A 60 10.633 -2.454 -5.926 1.00 3.52 N ATOM 0 H HIS A 60 7.190 -1.075 -4.798 1.00 0.51 H new ATOM 0 HA HIS A 60 8.623 1.269 -5.093 1.00 0.56 H new ATOM 0 HB2 HIS A 60 7.148 -0.345 -7.195 1.00 0.70 H new ATOM 0 HB3 HIS A 60 8.415 0.824 -7.512 1.00 0.70 H new ATOM 0 HD2 HIS A 60 9.955 -0.752 -4.681 1.00 2.44 H new ATOM 0 HE1 HIS A 60 10.673 -3.638 -7.717 1.00 3.41 H new ATOM 0 HE2 HIS A 60 11.307 -2.935 -5.331 1.00 3.52 H new ATOM 930 N THR A 61 5.401 1.615 -5.844 1.00 0.44 N ATOM 931 CA THR A 61 4.400 2.651 -6.063 1.00 0.47 C ATOM 932 C THR A 61 4.424 3.628 -4.885 1.00 0.45 C ATOM 933 O THR A 61 4.544 4.835 -5.083 1.00 0.52 O ATOM 934 CB THR A 61 3.012 2.040 -6.318 1.00 0.52 C ATOM 935 OG1 THR A 61 3.033 1.339 -7.543 1.00 0.72 O ATOM 936 CG2 THR A 61 1.936 3.125 -6.419 1.00 0.75 C ATOM 0 H THR A 61 5.031 0.668 -5.766 1.00 0.44 H new ATOM 0 HA THR A 61 4.639 3.213 -6.965 1.00 0.47 H new ATOM 0 HB THR A 61 2.779 1.378 -5.484 1.00 0.52 H new ATOM 0 HG1 THR A 61 2.116 1.121 -7.811 1.00 0.72 H new ATOM 0 HG21 THR A 61 0.967 2.660 -6.599 1.00 0.75 H new ATOM 0 HG22 THR A 61 1.900 3.690 -5.487 1.00 0.75 H new ATOM 0 HG23 THR A 61 2.174 3.798 -7.242 1.00 0.75 H new ATOM 944 N ILE A 62 4.330 3.107 -3.661 1.00 0.40 N ATOM 945 CA ILE A 62 4.352 3.907 -2.442 1.00 0.44 C ATOM 946 C ILE A 62 5.592 4.821 -2.401 1.00 0.50 C ATOM 947 O ILE A 62 5.463 6.031 -2.193 1.00 0.58 O ATOM 948 CB ILE A 62 4.201 2.967 -1.223 1.00 0.43 C ATOM 949 CG1 ILE A 62 2.730 2.858 -0.782 1.00 0.62 C ATOM 950 CG2 ILE A 62 5.010 3.432 -0.008 1.00 0.50 C ATOM 951 CD1 ILE A 62 1.857 2.140 -1.806 1.00 1.72 C ATOM 0 H ILE A 62 4.235 2.106 -3.489 1.00 0.40 H new ATOM 0 HA ILE A 62 3.507 4.595 -2.416 1.00 0.44 H new ATOM 0 HB ILE A 62 4.580 2.001 -1.558 1.00 0.43 H new ATOM 0 HG12 ILE A 62 2.679 2.327 0.168 1.00 0.62 H new ATOM 0 HG13 ILE A 62 2.332 3.858 -0.610 1.00 0.62 H new ATOM 0 HG21 ILE A 62 4.864 2.733 0.815 1.00 0.50 H new ATOM 0 HG22 ILE A 62 6.068 3.470 -0.268 1.00 0.50 H new ATOM 0 HG23 ILE A 62 4.675 4.424 0.294 1.00 0.50 H new ATOM 0 HD11 ILE A 62 0.831 2.093 -1.441 1.00 1.72 H new ATOM 0 HD12 ILE A 62 1.882 2.684 -2.750 1.00 1.72 H new ATOM 0 HD13 ILE A 62 2.234 1.129 -1.960 1.00 1.72 H new ATOM 963 N GLU A 63 6.778 4.247 -2.618 1.00 0.50 N ATOM 964 CA GLU A 63 8.048 4.957 -2.640 1.00 0.60 C ATOM 965 C GLU A 63 8.022 6.052 -3.706 1.00 0.56 C ATOM 966 O GLU A 63 8.211 7.227 -3.397 1.00 0.68 O ATOM 967 CB GLU A 63 9.181 3.956 -2.903 1.00 0.71 C ATOM 968 CG GLU A 63 9.388 3.003 -1.714 1.00 0.98 C ATOM 969 CD GLU A 63 10.358 1.868 -2.031 1.00 0.99 C ATOM 970 OE1 GLU A 63 10.538 1.577 -3.233 1.00 1.58 O ATOM 971 OE2 GLU A 63 10.888 1.293 -1.056 1.00 2.13 O ATOM 0 H GLU A 63 6.878 3.246 -2.788 1.00 0.50 H new ATOM 0 HA GLU A 63 8.219 5.436 -1.676 1.00 0.60 H new ATOM 0 HB2 GLU A 63 8.954 3.377 -3.798 1.00 0.71 H new ATOM 0 HB3 GLU A 63 10.106 4.498 -3.100 1.00 0.71 H new ATOM 0 HG2 GLU A 63 9.763 3.569 -0.861 1.00 0.98 H new ATOM 0 HG3 GLU A 63 8.427 2.582 -1.419 1.00 0.98 H new ATOM 978 N SER A 64 7.777 5.657 -4.958 1.00 0.49 N ATOM 979 CA SER A 64 7.737 6.551 -6.109 1.00 0.53 C ATOM 980 C SER A 64 6.806 7.733 -5.836 1.00 0.52 C ATOM 981 O SER A 64 7.159 8.887 -6.070 1.00 0.77 O ATOM 982 CB SER A 64 7.303 5.753 -7.347 1.00 0.58 C ATOM 983 OG SER A 64 7.338 6.557 -8.509 1.00 1.22 O ATOM 0 H SER A 64 7.597 4.683 -5.201 1.00 0.49 H new ATOM 0 HA SER A 64 8.728 6.964 -6.295 1.00 0.53 H new ATOM 0 HB2 SER A 64 7.959 4.892 -7.477 1.00 0.58 H new ATOM 0 HB3 SER A 64 6.295 5.366 -7.199 1.00 0.58 H new ATOM 0 HG SER A 64 7.059 6.025 -9.283 1.00 1.22 H new ATOM 989 N LEU A 65 5.610 7.447 -5.316 1.00 0.54 N ATOM 990 CA LEU A 65 4.654 8.476 -4.953 1.00 0.71 C ATOM 991 C LEU A 65 5.216 9.396 -3.874 1.00 0.91 C ATOM 992 O LEU A 65 5.112 10.620 -4.006 1.00 1.54 O ATOM 993 CB LEU A 65 3.350 7.826 -4.479 1.00 0.93 C ATOM 994 CG LEU A 65 2.541 7.218 -5.631 1.00 1.09 C ATOM 995 CD1 LEU A 65 1.445 6.344 -5.024 1.00 2.25 C ATOM 996 CD2 LEU A 65 1.895 8.287 -6.525 1.00 1.56 C ATOM 0 H LEU A 65 5.285 6.497 -5.138 1.00 0.54 H new ATOM 0 HA LEU A 65 4.451 9.085 -5.834 1.00 0.71 H new ATOM 0 HB2 LEU A 65 3.580 7.048 -3.751 1.00 0.93 H new ATOM 0 HB3 LEU A 65 2.742 8.572 -3.967 1.00 0.93 H new ATOM 0 HG LEU A 65 3.219 6.640 -6.260 1.00 1.09 H new ATOM 0 HD11 LEU A 65 0.852 5.897 -5.822 1.00 2.25 H new ATOM 0 HD12 LEU A 65 1.899 5.555 -4.424 1.00 2.25 H new ATOM 0 HD13 LEU A 65 0.801 6.955 -4.392 1.00 2.25 H new ATOM 0 HD21 LEU A 65 1.334 7.802 -7.324 1.00 1.56 H new ATOM 0 HD22 LEU A 65 1.220 8.901 -5.929 1.00 1.56 H new ATOM 0 HD23 LEU A 65 2.672 8.918 -6.957 1.00 1.56 H new ATOM 1008 N GLY A 66 5.681 8.835 -2.756 1.00 0.85 N ATOM 1009 CA GLY A 66 6.334 9.636 -1.732 1.00 0.96 C ATOM 1010 C GLY A 66 7.190 8.860 -0.731 1.00 0.89 C ATOM 1011 O GLY A 66 8.182 9.389 -0.233 1.00 1.50 O ATOM 0 H GLY A 66 5.616 7.840 -2.543 1.00 0.85 H new ATOM 0 HA2 GLY A 66 6.964 10.377 -2.223 1.00 0.96 H new ATOM 0 HA3 GLY A 66 5.569 10.183 -1.181 1.00 0.96 H new ATOM 1015 N PHE A 67 6.698 7.703 -0.281 1.00 0.78 N ATOM 1016 CA PHE A 67 6.612 7.444 1.154 1.00 0.53 C ATOM 1017 C PHE A 67 7.375 6.184 1.574 1.00 0.79 C ATOM 1018 O PHE A 67 7.665 5.319 0.753 1.00 1.35 O ATOM 1019 CB PHE A 67 5.126 7.369 1.530 1.00 0.81 C ATOM 1020 CG PHE A 67 4.282 8.468 0.907 1.00 0.62 C ATOM 1021 CD1 PHE A 67 4.403 9.790 1.373 1.00 1.78 C ATOM 1022 CD2 PHE A 67 3.465 8.193 -0.206 1.00 1.41 C ATOM 1023 CE1 PHE A 67 3.624 10.810 0.802 1.00 1.74 C ATOM 1024 CE2 PHE A 67 2.670 9.210 -0.763 1.00 1.48 C ATOM 1025 CZ PHE A 67 2.728 10.512 -0.238 1.00 0.64 C ATOM 0 H PHE A 67 6.360 6.947 -0.876 1.00 0.78 H new ATOM 0 HA PHE A 67 7.094 8.257 1.697 1.00 0.53 H new ATOM 0 HB2 PHE A 67 4.731 6.401 1.222 1.00 0.81 H new ATOM 0 HB3 PHE A 67 5.032 7.421 2.615 1.00 0.81 H new ATOM 0 HD1 PHE A 67 5.095 10.021 2.170 1.00 1.78 H new ATOM 0 HD2 PHE A 67 3.449 7.201 -0.632 1.00 1.41 H new ATOM 0 HE1 PHE A 67 3.714 11.824 1.163 1.00 1.74 H new ATOM 0 HE2 PHE A 67 2.015 8.991 -1.594 1.00 1.48 H new ATOM 0 HZ PHE A 67 2.084 11.283 -0.634 1.00 0.64 H new ATOM 1035 N GLU A 68 7.688 6.079 2.866 1.00 0.73 N ATOM 1036 CA GLU A 68 8.424 4.962 3.445 1.00 0.96 C ATOM 1037 C GLU A 68 7.434 3.825 3.706 1.00 0.87 C ATOM 1038 O GLU A 68 6.264 4.092 3.989 1.00 0.91 O ATOM 1039 CB GLU A 68 9.083 5.461 4.741 1.00 1.29 C ATOM 1040 CG GLU A 68 9.769 4.383 5.601 1.00 2.30 C ATOM 1041 CD GLU A 68 10.084 4.872 7.010 1.00 2.68 C ATOM 1042 OE1 GLU A 68 9.966 6.091 7.250 1.00 2.80 O ATOM 1043 OE2 GLU A 68 10.359 3.998 7.862 1.00 3.68 O ATOM 0 H GLU A 68 7.429 6.787 3.553 1.00 0.73 H new ATOM 0 HA GLU A 68 9.203 4.587 2.781 1.00 0.96 H new ATOM 0 HB2 GLU A 68 9.823 6.218 4.482 1.00 1.29 H new ATOM 0 HB3 GLU A 68 8.322 5.953 5.347 1.00 1.29 H new ATOM 0 HG2 GLU A 68 9.125 3.506 5.660 1.00 2.30 H new ATOM 0 HG3 GLU A 68 10.692 4.068 5.115 1.00 2.30 H new ATOM 1050 N ALA A 69 7.890 2.566 3.654 1.00 0.95 N ATOM 1051 CA ALA A 69 7.081 1.418 4.035 1.00 0.93 C ATOM 1052 C ALA A 69 7.938 0.285 4.592 1.00 0.84 C ATOM 1053 O ALA A 69 9.147 0.249 4.366 1.00 1.00 O ATOM 1054 CB ALA A 69 6.252 0.938 2.843 1.00 1.15 C ATOM 0 H ALA A 69 8.831 2.323 3.345 1.00 0.95 H new ATOM 0 HA ALA A 69 6.405 1.732 4.830 1.00 0.93 H new ATOM 0 HB1 ALA A 69 5.651 0.079 3.140 1.00 1.15 H new ATOM 0 HB2 ALA A 69 5.596 1.742 2.509 1.00 1.15 H new ATOM 0 HB3 ALA A 69 6.918 0.651 2.029 1.00 1.15 H new ATOM 1060 N SER A 70 7.322 -0.637 5.343 1.00 0.74 N ATOM 1061 CA SER A 70 7.997 -1.808 5.895 1.00 0.81 C ATOM 1062 C SER A 70 6.997 -2.934 6.172 1.00 0.78 C ATOM 1063 O SER A 70 6.021 -2.722 6.890 1.00 0.92 O ATOM 1064 CB SER A 70 8.728 -1.441 7.195 1.00 0.97 C ATOM 1065 OG SER A 70 9.581 -0.324 7.030 1.00 1.71 O ATOM 0 H SER A 70 6.332 -0.586 5.584 1.00 0.74 H new ATOM 0 HA SER A 70 8.722 -2.155 5.159 1.00 0.81 H new ATOM 0 HB2 SER A 70 7.996 -1.225 7.973 1.00 0.97 H new ATOM 0 HB3 SER A 70 9.313 -2.296 7.535 1.00 0.97 H new ATOM 0 HG SER A 70 10.025 -0.123 7.880 1.00 1.71 H new ATOM 1071 N LEU A 71 7.255 -4.147 5.672 1.00 0.83 N ATOM 1072 CA LEU A 71 6.511 -5.355 6.033 1.00 0.93 C ATOM 1073 C LEU A 71 6.862 -5.764 7.470 1.00 1.18 C ATOM 1074 O LEU A 71 7.480 -6.801 7.699 1.00 1.97 O ATOM 1075 CB LEU A 71 6.857 -6.483 5.042 1.00 1.08 C ATOM 1076 CG LEU A 71 6.215 -6.282 3.660 1.00 1.85 C ATOM 1077 CD1 LEU A 71 7.081 -6.923 2.570 1.00 2.58 C ATOM 1078 CD2 LEU A 71 4.822 -6.924 3.623 1.00 3.14 C ATOM 0 H LEU A 71 7.998 -4.318 4.995 1.00 0.83 H new ATOM 0 HA LEU A 71 5.440 -5.162 5.981 1.00 0.93 H new ATOM 0 HB2 LEU A 71 7.940 -6.541 4.929 1.00 1.08 H new ATOM 0 HB3 LEU A 71 6.528 -7.436 5.455 1.00 1.08 H new ATOM 0 HG LEU A 71 6.132 -5.210 3.479 1.00 1.85 H new ATOM 0 HD11 LEU A 71 6.613 -6.772 1.597 1.00 2.58 H new ATOM 0 HD12 LEU A 71 8.069 -6.462 2.572 1.00 2.58 H new ATOM 0 HD13 LEU A 71 7.178 -7.991 2.764 1.00 2.58 H new ATOM 0 HD21 LEU A 71 4.378 -6.774 2.639 1.00 3.14 H new ATOM 0 HD22 LEU A 71 4.908 -7.992 3.824 1.00 3.14 H new ATOM 0 HD23 LEU A 71 4.188 -6.462 4.380 1.00 3.14 H new ATOM 1090 N VAL A 72 6.478 -4.942 8.448 1.00 1.55 N ATOM 1091 CA VAL A 72 6.717 -5.226 9.855 1.00 1.79 C ATOM 1092 C VAL A 72 5.818 -6.384 10.295 1.00 1.68 C ATOM 1093 O VAL A 72 4.633 -6.191 10.558 1.00 2.12 O ATOM 1094 CB VAL A 72 6.555 -3.942 10.694 1.00 2.28 C ATOM 1095 CG1 VAL A 72 5.136 -3.356 10.708 1.00 2.17 C ATOM 1096 CG2 VAL A 72 7.022 -4.177 12.136 1.00 3.21 C ATOM 0 H VAL A 72 5.992 -4.061 8.282 1.00 1.55 H new ATOM 0 HA VAL A 72 7.745 -5.551 10.018 1.00 1.79 H new ATOM 0 HB VAL A 72 7.185 -3.203 10.198 1.00 2.28 H new ATOM 0 HG11 VAL A 72 5.120 -2.456 11.323 1.00 2.17 H new ATOM 0 HG12 VAL A 72 4.836 -3.106 9.691 1.00 2.17 H new ATOM 0 HG13 VAL A 72 4.443 -4.090 11.121 1.00 2.17 H new ATOM 0 HG21 VAL A 72 6.900 -3.260 12.712 1.00 3.21 H new ATOM 0 HG22 VAL A 72 6.426 -4.971 12.587 1.00 3.21 H new ATOM 0 HG23 VAL A 72 8.072 -4.468 12.135 1.00 3.21 H new ATOM 1106 N LYS A 73 6.363 -7.603 10.321 1.00 2.43 N ATOM 1107 CA LYS A 73 5.686 -8.783 10.839 1.00 2.60 C ATOM 1108 C LYS A 73 6.709 -9.642 11.577 1.00 3.35 C ATOM 1109 O LYS A 73 7.733 -10.009 11.006 1.00 4.54 O ATOM 1110 CB LYS A 73 4.973 -9.546 9.710 1.00 2.34 C ATOM 1111 CG LYS A 73 3.791 -8.696 9.230 1.00 2.46 C ATOM 1112 CD LYS A 73 2.854 -9.387 8.238 1.00 2.37 C ATOM 1113 CE LYS A 73 1.475 -8.709 8.295 1.00 3.19 C ATOM 1114 NZ LYS A 73 1.544 -7.232 8.266 1.00 4.64 N ATOM 0 H LYS A 73 7.303 -7.795 9.976 1.00 2.43 H new ATOM 0 HA LYS A 73 4.906 -8.495 11.543 1.00 2.60 H new ATOM 0 HB2 LYS A 73 5.662 -9.739 8.887 1.00 2.34 H new ATOM 0 HB3 LYS A 73 4.624 -10.515 10.067 1.00 2.34 H new ATOM 0 HG2 LYS A 73 3.210 -8.386 10.099 1.00 2.46 H new ATOM 0 HG3 LYS A 73 4.180 -7.789 8.767 1.00 2.46 H new ATOM 0 HD2 LYS A 73 3.262 -9.325 7.229 1.00 2.37 H new ATOM 0 HD3 LYS A 73 2.763 -10.446 8.481 1.00 2.37 H new ATOM 0 HE2 LYS A 73 0.874 -9.054 7.453 1.00 3.19 H new ATOM 0 HE3 LYS A 73 0.961 -9.023 9.203 1.00 3.19 H new ATOM 0 HZ1 LYS A 73 0.787 -6.837 8.860 1.00 4.64 H new ATOM 0 HZ2 LYS A 73 2.467 -6.920 8.629 1.00 4.64 H new ATOM 0 HZ3 LYS A 73 1.426 -6.898 7.288 1.00 4.64 H new ATOM 1128 N ILE A 74 6.435 -9.900 12.855 1.00 3.39 N ATOM 1129 CA ILE A 74 7.203 -10.714 13.783 1.00 4.26 C ATOM 1130 C ILE A 74 6.145 -11.361 14.677 1.00 4.78 C ATOM 1131 O ILE A 74 5.957 -12.576 14.651 1.00 5.62 O ATOM 1132 CB ILE A 74 8.191 -9.837 14.584 1.00 5.11 C ATOM 1133 CG1 ILE A 74 9.312 -9.212 13.732 1.00 5.93 C ATOM 1134 CG2 ILE A 74 8.789 -10.630 15.752 1.00 6.33 C ATOM 1135 CD1 ILE A 74 10.281 -10.224 13.110 1.00 6.78 C ATOM 0 H ILE A 74 5.603 -9.512 13.299 1.00 3.39 H new ATOM 0 HA ILE A 74 7.821 -11.463 13.288 1.00 4.26 H new ATOM 0 HB ILE A 74 7.603 -9.002 14.965 1.00 5.11 H new ATOM 0 HG12 ILE A 74 8.859 -8.625 12.933 1.00 5.93 H new ATOM 0 HG13 ILE A 74 9.880 -8.520 14.354 1.00 5.93 H new ATOM 0 HG21 ILE A 74 9.482 -9.996 16.305 1.00 6.33 H new ATOM 0 HG22 ILE A 74 7.989 -10.958 16.416 1.00 6.33 H new ATOM 0 HG23 ILE A 74 9.321 -11.500 15.367 1.00 6.33 H new ATOM 0 HD11 ILE A 74 11.036 -9.695 12.528 1.00 6.78 H new ATOM 0 HD12 ILE A 74 10.767 -10.796 13.901 1.00 6.78 H new ATOM 0 HD13 ILE A 74 9.730 -10.902 12.458 1.00 6.78 H new ATOM 1147 N GLU A 75 5.412 -10.509 15.399 1.00 5.23 N ATOM 1148 CA GLU A 75 4.005 -10.730 15.666 1.00 6.22 C ATOM 1149 C GLU A 75 3.254 -10.411 14.366 1.00 6.33 C ATOM 1150 O GLU A 75 2.128 -10.925 14.204 1.00 6.71 O ATOM 1151 CB GLU A 75 3.551 -9.796 16.797 1.00 7.33 C ATOM 1152 CG GLU A 75 4.358 -9.997 18.088 1.00 8.44 C ATOM 1153 CD GLU A 75 3.900 -9.036 19.178 1.00 9.91 C ATOM 1154 OE1 GLU A 75 4.333 -7.865 19.115 1.00 10.58 O ATOM 1155 OE2 GLU A 75 3.127 -9.488 20.049 1.00 10.71 O ATOM 1156 OXT GLU A 75 3.834 -9.654 13.549 1.00 6.76 O ATOM 0 H GLU A 75 5.784 -9.652 15.809 1.00 5.23 H new ATOM 0 HA GLU A 75 3.808 -11.756 15.978 1.00 6.22 H new ATOM 0 HB2 GLU A 75 3.648 -8.761 16.470 1.00 7.33 H new ATOM 0 HB3 GLU A 75 2.494 -9.967 17.003 1.00 7.33 H new ATOM 0 HG2 GLU A 75 4.246 -11.024 18.434 1.00 8.44 H new ATOM 0 HG3 GLU A 75 5.418 -9.843 17.885 1.00 8.44 H new TER 1163 GLU A 75 HETATM 1164 CU CU1 A 76 0.104 14.981 2.964 1.00 0.65 CU